Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-
TL;DR: Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- (CAS 127142-58-9) is a chemical compound with molecular formula C15H14ClN7O2S2 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea
Also Known As: Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-, 1-(4-chloro-3-nitro-phenyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea, 1-(4-chloro-3-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea, 1-[1-(2-Pyridinyl)ethylidene]-5-[4-chloro-3-nitrophenylamino(thiocarbonyl)]thiocarbonohydrazide, 3-{[(4-chloro-3-nitrophenyl)carbamothioyl]amino}-1-{[1-(pyridin-2-yl)ethylidene]amino}thiourea
| Molecular Formula | C15H14ClN7O2S2 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 2.7329 |
| Topological Polar Surface Area | 116.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0339 |
| Heavy Atoms | 27 |
| Complexity | 892.9891 |
Chemical Identifiers
| CAS Number | 127142-58-9 |
|---|---|
| SMILES | C/C(=N\NC(=S)NNC(=S)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])/C2=CC=CC=N2 |
Product Overview
Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- (CAS 127142-58-9), with molecular formula C15H14ClN7O2S2 and molecular weight 423.03 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]thiourea.
Chemical Property Profile of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-
Property Insights of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-
The XLogP value of 2.7329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. The TPSA of 116.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-. Following Lipinski's Rule of Five, Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-?
The CAS number of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 127142-58-9.
What is the molecular formula of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-?
The molecular formula of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is C15H14ClN7O2S2.
What is the molecular weight of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-?
The molecular weight of Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- is 423.03 g/mol.
Where can I buy Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-?
You can request a quote for Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic dihydrazide, N''-(((4-chloro-3-nitrophenyl)amino)thioxomethyl)-N'''-((1E)-1-(2-pyridinyl)ethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.