TL;DR: Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)- (CAS 127142-26-1) is a chemical compound with molecular formula C14H13ClN6OS and molecular weight 348.056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenyl)-3-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]urea
Also Known As: Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)-, 1-(2-chlorophenyl)-3-[[(E)-2-pyridylmethyleneamino]carbamothioylamino]urea, 1-[2-Chlorophenylaminocarbonyl]-5-(2-pyridinylmethylene)thiocarbonohydrazide, 3-(2-chlorophenyl)-1-[({[(pyridin-2-yl)methylidene]amino}carbamothioyl)amino]urea, Carbonothioic dihydrazide, N''-[[(2-chlorophenyl)amino]carbonyl]-N'''-[(1E)-2-pyridinylmethylene]-
| Molecular Formula | C14H13ClN6OS |
| Molecular Weight | 348.056 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.056 Da |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
| SMILES | C1=CC=C(C(=C1)NC(=O)NNC(=S)N/N=C/C2=CC=CC=N2)Cl |
| InChIKey | ATVUFCMXMZNXIB-RQZCQDPDSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)-. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)- has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)- is 127142-26-1.
The molecular formula of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)- is C14H13ClN6OS.
The molecular weight of Carbonothioic dihydrazide, N''-(((2-chlorophenyl)amino)carbonyl)-N'''-((1E)-2-pyridinylmethylene)- is 348.056 g/mol.
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