(2-Chloro-6-fluorophenyl)methanethiol
TL;DR: (2-Chloro-6-fluorophenyl)methanethiol (CAS 170924-52-4) is a chemical compound with molecular formula C7H6ClFS and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)methanethiol
Also Known As: (2-Chloro-6-fluorophenyl)methanethiol, 2-Chloro-6-fluorobenzylthiol, 2-Chloro-6-fluorobenzyl mercaptan, 2-chloro-6-fluorobenzylmercaptan, Benzenemethanethiol, 2-chloro-6-fluoro-
| Molecular Formula | C7H6ClFS |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.98628 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 170924-52-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CS)F |
| InChIKey | TXFPTJWQPHMUEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chloro-6-fluorophenyl)methanethiol (CAS 170924-52-4), with molecular formula C7H6ClFS and molecular weight 175.99 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methanethiol.
Chemical Property Profile of (2-Chloro-6-fluorophenyl)methanethiol
Property Insights of (2-Chloro-6-fluorophenyl)methanethiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-6-fluorophenyl)methanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, (2-Chloro-6-fluorophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-6-fluorophenyl)methanethiol 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-6-fluorophenyl)methanethiol?
The CAS number of (2-Chloro-6-fluorophenyl)methanethiol is 170924-52-4.
What is the molecular formula of (2-Chloro-6-fluorophenyl)methanethiol?
The molecular formula of (2-Chloro-6-fluorophenyl)methanethiol is C7H6ClFS.
What is the molecular weight of (2-Chloro-6-fluorophenyl)methanethiol?
The molecular weight of (2-Chloro-6-fluorophenyl)methanethiol is 175.99 g/mol.
Where can I buy (2-Chloro-6-fluorophenyl)methanethiol?
You can request a quote for (2-Chloro-6-fluorophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-6-fluorophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-6-fluorophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.