![5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/7224/722465-47-6.webp)
5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 722465-47-6) is a chemical compound with molecular formula C15H9ClF3N3S and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(2-Chloro-phenyl)-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(2-Chlorophenyl)-4-(3-(trifluoromethyl)phenyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C15H9ClF3N3S |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 5.26909 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.01578 |
| Heavy Atoms | 23 |
| Complexity | 914.57086 |
Chemical Identifiers
| CAS Number | 722465-47-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2C3=CC=CC(=C3)C(F)(F)F)Cl |
Product Overview
5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 722465-47-6), with molecular formula C15H9ClF3N3S and molecular weight 355.02 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.26909 indicates that 5-(2-chlorophenyl)-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 33.61 Ų, 5-(2-chlorophenyl)-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-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 722465-47-6.
What is the molecular formula of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is C15H9ClF3N3S.
What is the molecular weight of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 355.02 g/mol.
Where can I buy 5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-chlorophenyl)-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-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chlorophenyl)-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.