3-Chlorothiophenol
TL;DR: 3-Chlorothiophenol (CAS 2037-31-2) is a chemical compound with molecular formula C6H5ClS and molecular weight 143.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzenethiol
Also Known As: 3-Chlorothiophenol, 3-CHLOROBENZENETHIOL, m-Chlorothiophenol, Benzenethiol, 3-chloro-, m-Chlorobenzenethiol
| Molecular Formula | C6H5ClS |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.98004 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 2037-31-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)S |
| InChIKey | CQJDYPZUDYXHLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorothiophenol (CAS 2037-31-2), with molecular formula C6H5ClS and molecular weight 143.98 g/mol. IUPAC: 3-chlorobenzenethiol.
Chemical Property Profile of 3-Chlorothiophenol
Property Insights of 3-Chlorothiophenol
The XLogP value of 3.1 indicates that 3-Chlorothiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Chlorothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorothiophenol 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-Chlorothiophenol?
The CAS number of 3-Chlorothiophenol is 2037-31-2.
What is the molecular formula of 3-Chlorothiophenol?
The molecular formula of 3-Chlorothiophenol is C6H5ClS.
What is the molecular weight of 3-Chlorothiophenol?
The molecular weight of 3-Chlorothiophenol is 143.98 g/mol.
Where can I buy 3-Chlorothiophenol?
You can request a quote for 3-Chlorothiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorothiophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.