7-(Trifluoromethyl)quinoline-4-thiol
TL;DR: 7-(Trifluoromethyl)quinoline-4-thiol (CAS 181950-70-9) is a chemical compound with molecular formula C10H6F3NS and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(trifluoromethyl)-1H-quinoline-4-thione
Also Known As: 7-(Trifluoromethyl)quinoline-4-thiol, Cetohexazine, 7-Trifluoromethyl-4-quinolinethiol, 7-(trifluoromethyl)-1H-quinoline-4-thione, EINECS 264-875-2
| Molecular Formula | C10H6F3NS |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.0173 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 181950-70-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC=CC2=S |
| InChIKey | DBWDEWRMEKXOFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Trifluoromethyl)quinoline-4-thiol (CAS 181950-70-9), with molecular formula C10H6F3NS and molecular weight 229.02 g/mol. IUPAC: 7-(trifluoromethyl)-1H-quinoline-4-thione.
Chemical Property Profile of 7-(Trifluoromethyl)quinoline-4-thiol
Property Insights of 7-(Trifluoromethyl)quinoline-4-thiol
The XLogP value of 3.0 indicates that 7-(Trifluoromethyl)quinoline-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 7-(Trifluoromethyl)quinoline-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Trifluoromethyl)quinoline-4-thiol has 1 hydrogen bond donor(s) and 5 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 7-(Trifluoromethyl)quinoline-4-thiol?
The CAS number of 7-(Trifluoromethyl)quinoline-4-thiol is 181950-70-9.
What is the molecular formula of 7-(Trifluoromethyl)quinoline-4-thiol?
The molecular formula of 7-(Trifluoromethyl)quinoline-4-thiol is C10H6F3NS.
What is the molecular weight of 7-(Trifluoromethyl)quinoline-4-thiol?
The molecular weight of 7-(Trifluoromethyl)quinoline-4-thiol is 229.02 g/mol.
Where can I buy 7-(Trifluoromethyl)quinoline-4-thiol?
You can request a quote for 7-(Trifluoromethyl)quinoline-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Trifluoromethyl)quinoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7-(Trifluoromethyl)quinoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.