TL;DR: Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- (CAS 127142-34-1) is a chemical compound with molecular formula C15H15IN6S2 and molecular weight 469.98444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-iodophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, 1-(2-iodophenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 1-(2-iodophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea, 3-{[(2-iodophenyl)carbamothioyl]amino}-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea, Carbonothioic dihydrazide, N''-[[(2-iodophenyl)amino]thioxomethyl]-N'''-[(1E)-1-(2-pyridinyl)ethylidene]-
| Molecular Formula | C15H15IN6S2 |
| Molecular Weight | 469.98444 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.98444 Da |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=CC=CC=C1I)/C2=CC=CC=N2 |
| InChIKey | OMXQWYUDBNMLFZ-VXLYETTFSA-N |
The XLogP value of 3.3 indicates that Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- 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''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)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''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 127142-34-1.
The molecular formula of Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is C15H15IN6S2.
The molecular weight of Carbonothioic dihydrazide, N''-(((2-iodophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 469.98444 g/mol.
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