o-Chlorothiophenol
TL;DR: o-Chlorothiophenol (CAS 6320-03-2) 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.
2-chlorobenzenethiol
Also Known As: 2-Chlorothiophenol, 2-Chlorobenzenethiol, o-Chlorothiophenol, o-Chlorobenzenethiol, Benzenethiol, 2-chloro-
| Molecular Formula | C6H5ClS |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 2.7 |
| 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 | 6320-03-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S)Cl |
| InChIKey | PWOBDMNCYMQTCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chlorothiophenol (CAS 6320-03-2), with molecular formula C6H5ClS and molecular weight 143.98 g/mol. IUPAC: 2-chlorobenzenethiol.
Chemical Property Profile of o-Chlorothiophenol
Property Insights of o-Chlorothiophenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorothiophenol. With a topological polar surface area (TPSA) of 1.0 Ų, o-Chlorothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-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 o-Chlorothiophenol?
The CAS number of o-Chlorothiophenol is 6320-03-2.
What is the molecular formula of o-Chlorothiophenol?
The molecular formula of o-Chlorothiophenol is C6H5ClS.
What is the molecular weight of o-Chlorothiophenol?
The molecular weight of o-Chlorothiophenol is 143.98 g/mol.
Where can I buy o-Chlorothiophenol?
You can request a quote for o-Chlorothiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chlorothiophenol?
Yes, KEHONG BIO provides custom synthesis services for o-Chlorothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.