4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-42-3) is a chemical compound with molecular formula C14H9ClN6O2S and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3- thiol, 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H9ClN6O2S |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 3.44649 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.01962 |
| Heavy Atoms | 24 |
| Complexity | 982.4298 |
Chemical Identifiers
| CAS Number | 613248-42-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-42-3), with molecular formula C14H9ClN6O2S and molecular weight 360.02 g/mol. IUPAC: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.44649 indicates that 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol has 1 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 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 613248-42-3.
What is the molecular formula of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is C14H9ClN6O2S.
What is the molecular weight of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 360.02 g/mol.
Where can I buy 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chloro-3-nitrobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.