![4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione structure](/static/products/6932/693231-29-7.webp)
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione (CAS 693231-29-7) is a chemical compound with molecular formula C18H10ClF3N4S and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione, 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H10ClF3N4S |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.81729 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.02667 |
| Heavy Atoms | 27 |
| Complexity | 1213.1742 |
Chemical Identifiers
| CAS Number | 693231-29-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione (CAS 693231-29-7), with molecular formula C18H10ClF3N4S and molecular weight 406.03 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 5.81729 indicates that 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is 693231-29-7.
What is the molecular formula of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is C18H10ClF3N4S.
What is the molecular weight of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione is 406.03 g/mol.
Where can I buy 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.