3-Chloro-4-fluorobenzyl mercaptan
TL;DR: 3-Chloro-4-fluorobenzyl mercaptan (CAS 886498-16-4) 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.
(3-chloro-4-fluorophenyl)methanethiol
Also Known As: 3-Chloro-4-fluorobenzyl mercaptan, (3-chloro-4-fluorophenyl)methanethiol, 3-Chloro-4-fluorobenzylmercaptan, (3-chloro-4-fluoro-phenyl)methanethiol, (3-chloro-4-fluorophenyl)methane-1-thiol
| Molecular Formula | C7H6ClFS |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 2.9089 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.98628 |
| Heavy Atoms | 10 |
| Complexity | 237.04776 |
Chemical Identifiers
| CAS Number | 886498-16-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CS)Cl)F |
Product Overview
3-Chloro-4-fluorobenzyl mercaptan (CAS 886498-16-4), with molecular formula C7H6ClFS and molecular weight 175.99 g/mol. IUPAC: (3-chloro-4-fluorophenyl)methanethiol.
Chemical Property Profile of 3-Chloro-4-fluorobenzyl mercaptan
Property Insights of 3-Chloro-4-fluorobenzyl mercaptan
The XLogP value of 2.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorobenzyl mercaptan. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-4-fluorobenzyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorobenzyl mercaptan 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 3-Chloro-4-fluorobenzyl mercaptan?
The CAS number of 3-Chloro-4-fluorobenzyl mercaptan is 886498-16-4.
What is the molecular formula of 3-Chloro-4-fluorobenzyl mercaptan?
The molecular formula of 3-Chloro-4-fluorobenzyl mercaptan is C7H6ClFS.
What is the molecular weight of 3-Chloro-4-fluorobenzyl mercaptan?
The molecular weight of 3-Chloro-4-fluorobenzyl mercaptan is 175.99 g/mol.
Where can I buy 3-Chloro-4-fluorobenzyl mercaptan?
You can request a quote for 3-Chloro-4-fluorobenzyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorobenzyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.