5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol (CAS 32601-89-1) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 3-Methyladipicacid, 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol, 5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol, 5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 3-pyridyl-1,2,4-triazole-5-thiol
| Molecular Formula | C7H6N4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03131 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 32601-89-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NC(=S)NN2 |
| InChIKey | GAYWCADKXYCKCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol (CAS 32601-89-1), with molecular formula C7H6N4S and molecular weight 178.03 g/mol. IUPAC: 5-pyridin-3-yl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 2 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 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol is 32601-89-1.
What is the molecular formula of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol is C7H6N4S.
What is the molecular weight of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol is 178.03 g/mol.
Where can I buy 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-Pyridyl)-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 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.