TL;DR: Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- (CAS 127142-43-2) is a chemical compound with molecular formula C15H13Cl3N6S2 and molecular weight 445.97086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-1-pyridin-2-ylethylideneamino]-3-[(2,4,5-trichlorophenyl)carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)-, 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[(2,4,5-trichlorophenyl)carbamothioylamino]thiourea, 1-[1-(2-Pyridinyl)ethylidene]-5-[2,4,5-trichlorophenylamino(thiocarbonyl)]thiocarbonohydrazide, 1-{[1-(pyridin-2-yl)ethylidene]amino}-3-{[(2,4,5-trichlorophenyl)carbamothioyl]amino}thiourea, Carbonothioic dihydrazide, N''-[(1E)-1-(2-pyridinyl)ethylidene]-N'''-[thioxo[(2,4,5-trichlorophenyl)amino]methyl]-
| Molecular Formula | C15H13Cl3N6S2 |
| Molecular Weight | 445.97086 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.97086 Da |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl)/C2=CC=CC=N2 |
| InChIKey | UFAJOETWSOYHSY-ODCIPOBUSA-N |
The XLogP value of 4.5 indicates that Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- 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''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- is 127142-43-2.
The molecular formula of Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- is C15H13Cl3N6S2.
The molecular weight of Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo((2,4,5-trichlorophenyl)amino)methyl)- is 445.97086 g/mol.
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