![4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione structure](/static/products/497/497823-77-5.png)
4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione (CAS 497823-77-5) is a chemical compound with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-chlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione, 4-{[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-amino}-5-pyridin-2-yl-4H-[1,2,4]triazole-3-thiol, (E)-4-((4-chlorobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((4-Chlorobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C14H10ClN5S |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.53829 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.03455 |
| Heavy Atoms | 21 |
| Complexity | 820.5756 |
Chemical Identifiers
| CAS Number | 497823-77-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)Cl |
Product Overview
4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione (CAS 497823-77-5), with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol. IUPAC: 4-[(E)-(4-chlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.53829 indicates that 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 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-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione is 497823-77-5.
What is the molecular formula of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione is C14H10ClN5S.
What is the molecular weight of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione is 315.03 g/mol.
Where can I buy 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-chlorobenzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.