5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 796880-76-7) is a chemical compound with molecular formula C14H9F3N4S and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07778941, 3-pyridin-4-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-Pyridin-4-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol, 5-(pyridin-4-yl)-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C14H9F3N4S |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 4.01069 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.05 |
| Heavy Atoms | 22 |
| Complexity | 852.26965 |
Chemical Identifiers
| CAS Number | 796880-76-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 796880-76-7), with molecular formula C14H9F3N4S and molecular weight 322.05 g/mol. IUPAC: 3-pyridin-4-yl-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.01069 indicates that 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-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 46.5 Ų, 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-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 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol is 796880-76-7.
What is the molecular formula of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol is C14H9F3N4S.
What is the molecular weight of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol is 322.05 g/mol.
Where can I buy 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-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-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(pyridin-4-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.