4-Chloro-2-Fluorobenzyl Mercaptan
TL;DR: 4-Chloro-2-Fluorobenzyl Mercaptan (CAS 886498-25-5) 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.
(4-chloro-2-fluorophenyl)methanethiol
Also Known As: 4-Chloro-2-fluorobenzyl mercaptan, (4-chloro-2-fluorophenyl)methanethiol, 4-Chloro-2-fluorobenzenemethanethiol, 4-Chloro-2-fluorobenzylmercaptan, (4-chloro-2-fluoro-phenyl)methanethiol
| 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 | 886498-25-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)F)CS |
Product Overview
4-Chloro-2-Fluorobenzyl Mercaptan (CAS 886498-25-5), with molecular formula C7H6ClFS and molecular weight 175.99 g/mol. IUPAC: (4-chloro-2-fluorophenyl)methanethiol.
Chemical Property Profile of 4-Chloro-2-Fluorobenzyl Mercaptan
Property Insights of 4-Chloro-2-Fluorobenzyl Mercaptan
The XLogP value of 2.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-Fluorobenzyl Mercaptan. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-2-Fluorobenzyl Mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-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 4-Chloro-2-Fluorobenzyl Mercaptan?
The CAS number of 4-Chloro-2-Fluorobenzyl Mercaptan is 886498-25-5.
What is the molecular formula of 4-Chloro-2-Fluorobenzyl Mercaptan?
The molecular formula of 4-Chloro-2-Fluorobenzyl Mercaptan is C7H6ClFS.
What is the molecular weight of 4-Chloro-2-Fluorobenzyl Mercaptan?
The molecular weight of 4-Chloro-2-Fluorobenzyl Mercaptan is 175.99 g/mol.
Where can I buy 4-Chloro-2-Fluorobenzyl Mercaptan?
You can request a quote for 4-Chloro-2-Fluorobenzyl Mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-Fluorobenzyl Mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-Fluorobenzyl Mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.