TL;DR: Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- (CAS 127142-21-6) is a chemical compound with molecular formula C14H20N6S2 and molecular weight 336.11908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclopentyl-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, 1-[1-(2-Pyridinyl)ethylidene]-5-[cyclopentylamino(thiocarbonyl)]thiocarbonohydrazide, 1-cyclopentyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 3-[(cyclopentylcarbamothioyl)amino]-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea, Carbonothioic dihydrazide, N''-[(cyclopentylamino)thioxomethyl]-N'''-[(1E)-1-(2-pyridinyl)ethylidene]-
| Molecular Formula | C14H20N6S2 |
| Molecular Weight | 336.11908 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.11908 Da |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1CCCC1)/C2=CC=CC=N2 |
| InChIKey | NWIGGJNBNLBREV-LICLKQGHSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- 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''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 127142-21-6.
The molecular formula of Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is C14H20N6S2.
The molecular weight of Carbonothioic dihydrazide, N''-((cyclopentylamino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 336.11908 g/mol.
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