4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-33-2) 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)-(2-chlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chlorobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((2-CHLOROBENZYLIDENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-(2-chlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione, 637-576-3
| 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 | 837.8256 |
Chemical Identifiers
| CAS Number | 613248-33-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)Cl |
Product Overview
4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-33-2), with molecular formula C14H10ClN5S and molecular weight 315.03 g/mol. IUPAC: 4-[(E)-(2-chlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.53829 indicates that 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol 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-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol 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-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 613248-33-2.
What is the molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is C14H10ClN5S.
What is the molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 315.03 g/mol.
Where can I buy 4-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Chlorobenzylidene)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-((2-Chlorobenzylidene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chlorobenzylidene)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.