![4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/7233/723332-80-7.webp)
4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 723332-80-7) is a chemical compound with molecular formula C15H8Cl2F3N3S and molecular weight 388.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5-(3-Chloro-phenyl)-4-(4-chloro-3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-2H-1,2,4-triazole-3-thione, C15H8Cl2F3N3S
| Molecular Formula | C15H8Cl2F3N3S |
|---|---|
| Molecular Weight | 388.98 g/mol |
| LogP | 5.92249 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.9768 |
| Heavy Atoms | 24 |
| Complexity | 963.0835 |
Chemical Identifiers
| CAS Number | 723332-80-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 723332-80-7), with molecular formula C15H8Cl2F3N3S and molecular weight 388.98 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.92249 indicates that 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-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, 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-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 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 723332-80-7.
What is the molecular formula of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C15H8Cl2F3N3S.
What is the molecular weight of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 388.98 g/mol.
Where can I buy 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-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-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.