![5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/911/911135-63-2.png)
5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 911135-63-2) is a chemical compound with molecular formula C9H6F3N3S and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thiol, 5-(4-trifluoromethyl-phenyl)-4h-[1,2,4]triazole-3-thiol, 5-(4-Trifluoromethylphenyl)-4H-[1,2,4]triazole-3-thiol, 5-[4-(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione
| Molecular Formula | C9H6F3N3S |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 3.15309 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.02345 |
| Heavy Atoms | 16 |
| Complexity | 538.1171 |
Chemical Identifiers
| CAS Number | 911135-63-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)C(F)(F)F |
Product Overview
5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 911135-63-2), with molecular formula C9H6F3N3S and molecular weight 245.02 g/mol. IUPAC: 5-[4-(trifluoromethyl)phenyl]-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.15309 indicates that 5-[4-(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 44.47 Ų, 5-[4-(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-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 2 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-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 911135-63-2.
What is the molecular formula of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is C9H6F3N3S.
What is the molecular weight of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 245.02 g/mol.
Where can I buy 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[4-(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-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.