Category: 2231-57-4

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, COA of Formula: CH6N4S, 2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Hasegawa, Takeshi, introduce the new discover.

A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method

A systematic study of the binding affinities of 16 lead compounds targeting the Pim-1 kinase based on the 3DRISM/KH theory and MD simulations is reported. The results show a correlation coefficient R = 0.69 between the theoretical and experimental values of the binding free energy. This demonstrates that the method is applicable to the problem of compound screening and lead optimization, for which relative values of the free energy among the compounds have significance. We elucidate the contribution of the ligand fragments to the binding free energy. Our results indicate that the interactions between the residues and the triazolo[4,3-b]pyridazine scaffold as well as the phenyl ring of the ligand molecule make significant contributions to stabilization of the complex. Using the 3D-RISM/KH theory, we further analyze the probability distribution of a ligand fragment around the protein ligand complex in which the substituent around the phenyl ring is removed from the ligand. The results demonstrate that the 3D-RISM/KH theory is capable of predicting the position of substitution on a ligand that has a higher affinity to a target protein.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2231-57-4. COA of Formula: CH6N4S.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

In an article, author is Palmioli, Alessandro, once mentioned the application of 2231-57-4, HPLC of Formula: CH6N4S, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S, molecular weight is 106.1501, MDL number is MFCD00007616, category is pyridazines. Now introduce a scientific discovery about this category.

Glyco-functionalized dinuclear rhenium(I) complexes for cell imaging

The design, synthesis and photophysical characterization of four new luminescent glycosylated luminophores based on dinuclear rhenium complexes, namely Glyco-Re, are described. The derivatives have the general formula [Re-2(mu-Cl)(2)(CO)(6)(mu-pydz-R)] (R-pydz = functionalized 1,2-pyridazine), where a sugar residue (R) is covalently bound to the pyridazine ligand in the beta position. Different synthetic pathways have been investigated including the so-called neo-glycorandomization procedure, affording stereoselectively glyco-conjugates containing glucose and maltose in a beta anomeric configuration. A multivalent dinuclear rhenium glycodendron bearing three glucose units is also synthesized. All the Glyco-Re conjugates are comprehensively characterized and their photophysical properties and cellular internalization experiments on human cervical adenocarcinoma (HeLa) cells are reported. The results show that such Glyco-Re complexes display interesting bio-imaging properties, i.e. high cell permeability, organelle selectivity, low cytotoxicity and fast internalization. These findings make the presented Glyco-Re derivatives efficient phosphorescent probes suitable for cell imaging application.

If you are interested in 2231-57-4, you can contact me at any time and look forward to more communication. HPLC of Formula: CH6N4S.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry, like all the natural sciences, Product Details of 2231-57-4, begins with the direct observation of nature¡ª in this case, of matter.2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Telo, Joao P., introduce the new discover.

Mixed valence radical anions of 4,4 ”-dinitro-p-terphenyl and its aza derivatives as models for electronic communication in conducting polymers

Cyclic voltanunetry, UV/Vis/NIR spectroscopy, EPR spectroscopy and theoretical calculations were used to study the mixed valence radical anions of 4,4 ”-dinitro-p-therphenyl (2), of 3,6-bis(4-nitrophenyl)-1,2-diazine (3) and of 2,5-bis(4-nitrophenyl)-1,4-diazine (4) as models to understand the effect of the structural changes on the conductivity of poly-p-phenylene polymers. All the results show an increase of the electronic communication between nitro groups in the order 2 < 3 < 4. Substitution of CH units by nitrogen atoms in the central aromatic ring lowers the reduction potential of the bridge, increasing the electronic coupling through the triaryl bridge and the rate of intramolecular electron transfer in the same order. Additionally, calculations show that the 1,2-diazine ring of 3, and specially the 1,4-diazine ring of 4, allow a higher planarity of the molecule by decreasing the steric strain between rings, which also increases the conjugation through the bridge. The results suggest that incorporating pyrazine (1,4-diazine) and pyridazine (1,2-diazine) units in poly-p-phenylene polymers should enhance the electronic properties of these conducting polymers. Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 2231-57-4. Product Details of 2231-57-4.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 2231-57-4, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S. In an article, author is Wang, Yujie,once mentioned of 2231-57-4, Application In Synthesis of Carbonothioic dihydrazide.

A donor-acceptor-donor-type conjugated polymer-modified TiO2 with enhanced photocatalytic activity under simulated sunlight and natural sunlight

A low bandgap donor-acceptor-donor (D-A-D)-type conjugated polymer, poly(3,6-bis(3,4-ethylenedioxythienyl)pyridazine) (poly(EPE)), including 3,4-ethylenedioxythiophene as donor (D) and pyridazine as acceptor (A) units were synthesized. The nanocomposites (poly(EPE)/TiO2) of D-A-D-type conjugated polymer and TiO2 with different weight percentage of poly(EPE) were successfully prepared by an in situ chemical oxidative polymerization method. The structure and morphology of nanocomposites were investigated by Fourier transform infrared spectroscopy, UV-Vis diffuse reflectance spectra (UV-Vis/DRS), scanning electron microscopy images and transmission electron microscopy images. The structural and morphological studies revealed that the poly(EPE) was entrapped in the TiO2 nanoparticles. The photocatalytic activities of nanocomposites were measured by the photodegradation of methyl orange (MO) aqueous solutions under simulated sunlight and natural sunlight irradiation, respectively. The pseudo-first-order kinetic constants of photocatalytic degradation of MO under simulated sunlight and natural sunlight irradiation with 8 wt% poly(EPE)/TiO2 were 4.39 and 4.04 times as great as that of pure TiO2, respectively, exhibiting greater photocatalytic performance.

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Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

In an article, author is Sadimenko, Alexander P., once mentioned the application of 2231-57-4, Category: pyridazines, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S, molecular weight is 106.1501, MDL number is MFCD00007616, category is pyridazines. Now introduce a scientific discovery about this category.

Organometallic complexes of functionalized chelating azines

Organometallic compounds of the chelating azines containing carbonyl, hydroxyl, thiol, selenol, amino, imino, phosphino, thienyl, indolyl, carbazolyl, pyrazolyl, imidazolyl, 1,2,3-triazolyl, and N-heterocyclic carbene functionalities are reviewed. Synthesis and coordination modes, the role of the discussed compounds in catalysis, materials chemistry, photochemistry, and microbiology are highlighted.

If you are interested in 2231-57-4, you can contact me at any time and look forward to more communication. Category: pyridazines.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry is an experimental science, Quality Control of Carbonothioic dihydrazide, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 2231-57-4, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S, belongs to pyridazines compound. In a document, author is Li Bu-Tong.

Looking for High Energy Density Molecules in the Nitro-substituted Derivatives of Pyridazine

A series of derivatives of pyridazine were designed through substituting hydrogens on the pyridazine ring with nitro groups. To explore the thermal stability of the title molecules, heats of formation, bond dissociation energies, and bond orders were calculated at the B3PW91/6-311+G(d,p) level. To confirm the potential usage as high energy density compounds, the detonation pressure and detonation velocity were predicted by using the empirical Kamlet-Jacobs (K-J) equation. Based on our calculated results, both thermal and kinetic stabilities of the title molecules are confirmed with good detonation characters. Especially, 3,4,5-trinitropyridazide and 3,4,6-trinitropyridazide represent excellent detonation parameters better than 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) and are screened out as potential high energy density compounds.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 2231-57-4. Quality Control of Carbonothioic dihydrazide.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 2231-57-4, Name is Carbonothioic dihydrazide. In a document, author is Qi, Yu, introducing its new discovery. Category: pyridazines.

Synthesis of an aromatic N-heterocycle derived from biomass and its use as a polymer feedstock

Aromatic N-heterocyclic compounds are very important chemicals, which are currently produced mostly from petroleum. Here we report that a pyridazine-based compound 6-(4-hydroxy-3-methoxyphenyl) pyridazin-3(2H)-one (GSPZ) can be efficiently synthesized by the Friedel-Crafts reaction of guaiacol and succinic anhydride, both of which can be derived from biomass. GSPZ is then treated with bio-based epichlorohydrin to prepare the epoxy resin precursor GSPZ-EP. With 4,4′-diaminodiphenylmethane as curing agent, GSPZ-EP possesses higher glass transition temperature (187 degrees C vs. 173 degrees C) and shows a 140%, 70 and 93% increase in char yield (in N-2), storage modulus (30 degrees C) and Young’s modulus, respectively when compared with a standard petroleum-based bisphenol A epoxy resin. Moreover, the cured GSPZ-EP shows good intrinsic flame retardancy properties and is very close to the V-0 rating of UL-94 test. This work opens the door for production of aromatic N-heterocyclic compounds, which can be derived from biomass and employed to construct high performance polymers.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 2231-57-4 help many people in the next few years. Category: pyridazines.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Application In Synthesis of Carbonothioic dihydrazide, 2231-57-4, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S, belongs to pyridazines compound. In a document, author is Daoui, Said, introduce the new discover.

Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one

In the title compound, C13H14N2O3, the dihydropyridazine ring (r.m.s. deviation = 0.166 angstrom) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)degrees. In the crystal, intermolecular O-H center dot center dot center dot O hydrogen bonds generate C(5) chains and N-H center dot center dot center dot O hydrogen bonds produce R-2(2)(8) motifs. These types of interactions lead to the formation of layers parallel to (12 (1) over bar). The three-dimensional network is achieved by C-H center dot center dot center dot O interactions, including R-2(4)(8) motifs. Intermolecular interactions were additionally investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are by H center dot center dot center dot H (43.3%), H center dot center dot center dot C/C center dot center dot center dot H (19.3%), H center dot center dot center dot O/H center dot center dot center dot O (22.6%), C center dot center dot center dot N/N center dot center dot center dot C (3.0%) and H center dot center dot center dot N/N center dot center dot center dot H (5.8%) contacts. C-H center dot center dot center dot pi interactions and aromatic pi-pi stacking interactions are not observed.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2231-57-4. Application In Synthesis of Carbonothioic dihydrazide.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Ghosh, Biswa Nath, introduce the new discover, Recommanded Product: Carbonothioic dihydrazide.

Mononuclear and dinuclear trimethylplatinum(IV) iodide complexes of 3-substituted pyridines

Reaction of tetrameric trimethylplatinum(IV) iodide with an excess of 3-substituted pyridines in chloroform afforded mononuclear complexes, [PtMe3L2I] (L = 3-CNpy, 3-Brpy, 3-MeOpy, 3-Mepy and 3-Etpy). The complexes were characterized by H-1 NMR, CHN analysis and X-ray single crystal structure analysis. The mononuclear complexes undergo reaction with trimethylplatinum(IV) iodide in chloroform to form the corresponding dinuclear forms (both syn and anti). A comparison of both the mononuclear and dinuclear forms in solution for a particular pyridine substituent has been studied in detail with the help of H-1 NMR spectroscopy, ably supported by DFT computational studies. The investigation further shows the influence of the pyridine substituent on controlling the mode of the reaction. The crystal structures of two dinuclear complexes, syn-[PtMe3(3-CNpy)I](2) and anti-[PtMe3(3-Brpy)I](2), have also been described here.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 2231-57-4 is helpful to your research. Recommanded Product: Carbonothioic dihydrazide.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Electric Literature of 2231-57-4, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a article, author is Saraswat, Mayank, introduce new discover of the category.

Thermal unimolecular reactivity pathways in dehydro-diazines radicals

In this work, we investigated the detailed reactivity of dehydro-diazine radicals through unimolecular dissociation pathways. Aromatic six-membered rings with two nitrogens as heteroatoms are classified as diazines, which include pyrimidine 1, pyridazine 2, and pyrazine 3. The C-H bond scission in pyrimidine, pyridazine, and pyrazine leads to three (1a-1c), two (2a and 2b), and one (3a) radical isomers, respectively. Through quantum chemical calculations, reactivity aspects of all the six radical isomers have been investigated by considering different modes of unimolecular reactions. On the basis of the computations at (U)B3LYP/cc-pVTZ, (U)M06-2X/cc-pVTZ, and (U)CCSD(T)/cc-pVTZ//(U)B3LYP/cc-pVTZ levels of theory and analysis, we found out that ring-opening pathways were kinetically more favorable compared with isomerization (1,2-H shift) pathways or C-H bond dissociation leading to biradicals. In all the cases, ring-opening via C-N bond cleavage has a lower energy barrier compared with C-C bond cleavage owing to the stabilizing interaction between radical electron and the nitrogen lone pair. Moreover, the unimolecular decomposition channels can lead to several fragmentation products, which are interesting in the astrochemical context. On the basis of these investigations and also the impact of three centered-five electrons (3c-5e) interactions on the reactivity aspects, we determined the kinetic stability order among the six isomeric dehydrodiazine radicals.

Electric Literature of 2231-57-4, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 2231-57-4.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem