![4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/3069/306936-80-1.webp)
4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 306936-80-1) 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.
4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, Maybridge1_008693, 4-(2-(Trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol, 9711AD, 4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H6F3N3S |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 2.94869 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.02345 |
| Heavy Atoms | 16 |
| Complexity | 555.3671 |
Chemical Identifiers
| CAS Number | 306936-80-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C=NNC2=S |
Product Overview
4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol (CAS 306936-80-1), with molecular formula C9H6F3N3S and molecular weight 245.02 g/mol. IUPAC: 4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.94869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 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, 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol has 1 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 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 306936-80-1.
What is the molecular formula of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is C9H6F3N3S.
What is the molecular weight of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol is 245.02 g/mol.
Where can I buy 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 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 4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 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.