![5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/6734/673491-39-9.webp)
5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 673491-39-9) is a chemical compound with molecular formula C13H8F3N3OS and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07779049, 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 3-(furan-2-yl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(furan-2-yl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(furan-2-yl)-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H8F3N3OS |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 4.20869 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.03403 |
| Heavy Atoms | 21 |
| Complexity | 817.80176 |
Chemical Identifiers
| CAS Number | 673491-39-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C(=NNC2=S)C3=CC=CO3 |
Product Overview
5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 673491-39-9), with molecular formula C13H8F3N3OS and molecular weight 311.03 g/mol. IUPAC: 3-(furan-2-yl)-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 4.20869 indicates that 5-Furan-2-yl-4-(2-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 46.75 Ų, 5-Furan-2-yl-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, 5-Furan-2-yl-4-(2-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-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol is 673491-39-9.
What is the molecular formula of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol is C13H8F3N3OS.
What is the molecular weight of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol is 311.03 g/mol.
Where can I buy 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-Furan-2-yl-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 5-Furan-2-yl-4-(2-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Furan-2-yl-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.