![5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/1328/132844-83-8.webp)
5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 132844-83-8) 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-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 5-Pyridin-3-yl-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 3-(3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazoline-5-thione, 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| 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 | 132844-83-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NNC2=S)C3=CN=CC=C3)C(F)(F)F |
Product Overview
5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 132844-83-8), with molecular formula C14H9F3N4S and molecular weight 322.05 g/mol. IUPAC: 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.01069 indicates that 5-(pyridin-3-yl)-4-[3-(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-3-yl)-4-[3-(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-3-yl)-4-[3-(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-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 132844-83-8.
What is the molecular formula of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is C14H9F3N4S.
What is the molecular weight of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 322.05 g/mol.
Where can I buy 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(pyridin-3-yl)-4-[3-(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-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.