2-Chloro-4-fluorothiophenol
TL;DR: 2-Chloro-4-fluorothiophenol (CAS 175277-99-3) is a chemical compound with molecular formula C6H4ClFS and molecular weight 161.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-fluorobenzenethiol
Also Known As: 2-Chloro-4-fluorothiophenol, 2-Chloro-4-fluorobenzenethiol, 2-chloro-4-fluorobenzene-1-thiol, 4-Aminobenzylamine, Benzenethiol, 2-chloro-4-fluoro-
| Molecular Formula | C6H4ClFS |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.97063 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 175277-99-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)S |
| InChIKey | KUAPPJSILOMQPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-fluorothiophenol (CAS 175277-99-3), with molecular formula C6H4ClFS and molecular weight 161.97 g/mol. IUPAC: 2-chloro-4-fluorobenzenethiol.
Chemical Property Profile of 2-Chloro-4-fluorothiophenol
Property Insights of 2-Chloro-4-fluorothiophenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-fluorothiophenol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Chloro-4-fluorothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-fluorothiophenol has 1 hydrogen bond donor(s) and 2 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 2-Chloro-4-fluorothiophenol?
The CAS number of 2-Chloro-4-fluorothiophenol is 175277-99-3.
What is the molecular formula of 2-Chloro-4-fluorothiophenol?
The molecular formula of 2-Chloro-4-fluorothiophenol is C6H4ClFS.
What is the molecular weight of 2-Chloro-4-fluorothiophenol?
The molecular weight of 2-Chloro-4-fluorothiophenol is 161.97 g/mol.
Where can I buy 2-Chloro-4-fluorothiophenol?
You can request a quote for 2-Chloro-4-fluorothiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-fluorothiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-fluorothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.