![4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol structure](/static/products/2998/29982-33-0.webp)
4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 29982-33-0) 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.
4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol, 4-(Pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-pyridin-3-yl-1H-1,2,4-triazole-5-thione, BAS 01312185, 4-(3-pyridyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C7H6N4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.03131 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 29982-33-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)N2C=NNC2=S |
| InChIKey | HYAQFLRHPHXTSN-UHFFFAOYSA-N |
Product Overview
4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 29982-33-0), with molecular formula C7H6N4S and molecular weight 178.03 g/mol. IUPAC: 4-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 29982-33-0.
What is the molecular formula of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is C7H6N4S.
What is the molecular weight of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 178.03 g/mol.
Where can I buy 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Pyridin-3-yl-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-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridin-3-yl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.