4-Chlorobenzyl mercaptan
TL;DR: 4-Chlorobenzyl mercaptan (CAS 6258-66-8) is a chemical compound with molecular formula C7H7ClS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methanethiol
Also Known As: 4-Chlorobenzyl mercaptan, 4-Chlorobenzenemethanethiol, 4-Chlorobenzylmercaptan, (4-Chlorophenyl)methanethiol, p-Chlorobenzyl mercaptan
| Molecular Formula | C7H7ClS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.9957 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 6258-66-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CS)Cl |
| InChIKey | GKQXPTHQTXCXEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzyl mercaptan (CAS 6258-66-8), with molecular formula C7H7ClS and molecular weight 158.00 g/mol. IUPAC: (4-chlorophenyl)methanethiol.
Chemical Property Profile of 4-Chlorobenzyl mercaptan
Property Insights of 4-Chlorobenzyl mercaptan
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzyl mercaptan. With a topological polar surface area (TPSA) of 1.0 Ų, 4-Chlorobenzyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 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-Chlorobenzyl mercaptan?
The CAS number of 4-Chlorobenzyl mercaptan is 6258-66-8.
What is the molecular formula of 4-Chlorobenzyl mercaptan?
The molecular formula of 4-Chlorobenzyl mercaptan is C7H7ClS.
What is the molecular weight of 4-Chlorobenzyl mercaptan?
The molecular weight of 4-Chlorobenzyl mercaptan is 158.00 g/mol.
Where can I buy 4-Chlorobenzyl mercaptan?
You can request a quote for 4-Chlorobenzyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.