![5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/2165/216501-13-2.webp)
5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 216501-13-2) is a chemical compound with molecular formula C16H12F3N3OS and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: Maybridge1_000422, 5-(4-Methoxy-phenyl)-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 5-(4-Methoxyphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H12F3N3OS |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 4.62429 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0653 |
| Heavy Atoms | 24 |
| Complexity | 913.3073 |
Chemical Identifiers
| CAS Number | 216501-13-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC(=C3)C(F)(F)F |
Product Overview
5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 216501-13-2), with molecular formula C16H12F3N3OS and molecular weight 351.07 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.62429 indicates that 5-(4-methoxyphenyl)-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 42.84 Ų, 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 216501-13-2.
What is the molecular formula of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is C16H12F3N3OS.
What is the molecular weight of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 351.07 g/mol.
Where can I buy 5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-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.