TL;DR: Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- (CAS 127142-07-8) is a chemical compound with molecular formula C16H18N6OS2 and molecular weight 374.09836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methoxyphenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, 1-(3-methoxyphenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 1-[1-(2-Pyridinyl)ethylidene]-5-[3-methoxyphenylamino(thiocarbonyl)]thiocarbonohydrazide, 3-{[(3-methoxyphenyl)carbamothioyl]amino}-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea, Carbonothioic dihydrazide, N''-[[(3-methoxyphenyl)amino]thioxomethyl]-N'''-[(1E)-1-(2-pyridinyl)ethylidene]-
| Molecular Formula | C16H18N6OS2 |
| Molecular Weight | 374.09836 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.09836 Da |
| Heavy Atoms | 25 |
| Complexity | 487.0 |
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=CC(=CC=C1)OC)/C2=CC=CC=N2 |
| InChIKey | GDWMBEYHDNEJCI-YBFXNURJSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. The TPSA of 147.0 Ų indicates high polarity, suggesting Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 127142-07-8.
The molecular formula of Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is C16H18N6OS2.
The molecular weight of Carbonothioic dihydrazide, N''-(((3-methoxyphenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 374.09836 g/mol.
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