![4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol structure](/static/products/1328/132844-85-0.webp)
4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 132844-85-0) is a chemical compound with molecular formula C13H9FN4S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol, 4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(4-fluorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, A3116/0132018, 4-(4-fluorophenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C13H9FN4S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0532 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 132844-85-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)N2C3=CC=C(C=C3)F |
| InChIKey | JWYMLIAPRDNZOO-UHFFFAOYSA-N |
Product Overview
4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol (CAS 132844-85-0), with molecular formula C13H9FN4S and molecular weight 272.05 g/mol. IUPAC: 4-(4-fluorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluoro-phenyl)-5-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-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-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-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 132844-85-0.
What is the molecular formula of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is C13H9FN4S.
What is the molecular weight of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol is 272.05 g/mol.
Where can I buy 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-(4-Fluoro-phenyl)-5-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-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluoro-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.