4-Chloro-3-(trifluoromethyl)benzene-1-thiol
TL;DR: 4-Chloro-3-(trifluoromethyl)benzene-1-thiol (CAS 18800-22-1) is a chemical compound with molecular formula C7H4ClF3S and molecular weight 211.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(trifluoromethyl)benzenethiol
Also Known As: 4-Chloro-3-trifluoromethyl-benzenethiol, 4-chloro-3-(trifluoromethyl)benzenethiol, 2,8-Dichloroquinoline, 4-Chloro-3-trifluoromethylbenzenethiol, 4-chloro-3-(trifluoromethyl)benzene-1-thiol
| Molecular Formula | C7H4ClF3S |
|---|---|
| Molecular Weight | 211.97 g/mol |
| LogP | 3.6475 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.96744 |
| Heavy Atoms | 12 |
| Complexity | 295.19324 |
Chemical Identifiers
| CAS Number | 18800-22-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)C(F)(F)F)Cl |
Product Overview
4-Chloro-3-(trifluoromethyl)benzene-1-thiol (CAS 18800-22-1), with molecular formula C7H4ClF3S and molecular weight 211.97 g/mol. IUPAC: 4-chloro-3-(trifluoromethyl)benzenethiol.
Chemical Property Profile of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol
Property Insights of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol
The XLogP value of 3.6475 indicates that 4-Chloro-3-(trifluoromethyl)benzene-1-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-3-(trifluoromethyl)benzene-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(trifluoromethyl)benzene-1-thiol has 1 hydrogen bond donor(s) and 1 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-Chloro-3-(trifluoromethyl)benzene-1-thiol?
The CAS number of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol is 18800-22-1.
What is the molecular formula of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol?
The molecular formula of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol is C7H4ClF3S.
What is the molecular weight of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol?
The molecular weight of 4-Chloro-3-(trifluoromethyl)benzene-1-thiol is 211.97 g/mol.
Where can I buy 4-Chloro-3-(trifluoromethyl)benzene-1-thiol?
You can request a quote for 4-Chloro-3-(trifluoromethyl)benzene-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(trifluoromethyl)benzene-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(trifluoromethyl)benzene-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.