2,3-Dichlorobenzenethiol
TL;DR: 2,3-Dichlorobenzenethiol (CAS 17231-95-7) is a chemical compound with molecular formula C6H4Cl2S and molecular weight 177.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichlorobenzenethiol
Also Known As: 2,3-Dichlorothiophenol, 2,3-Dichlorobenzenethiol, dichlorothiophenol, 2,3-dichlorobenzene-1-thiol, Benzenethiol, dichloro-
| Molecular Formula | C6H4Cl2S |
|---|---|
| Molecular Weight | 177.94 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.94107 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 17231-95-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)S |
| InChIKey | QGRKONUHHGBHRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichlorobenzenethiol (CAS 17231-95-7), with molecular formula C6H4Cl2S and molecular weight 177.94 g/mol. IUPAC: 2,3-dichlorobenzenethiol.
Chemical Property Profile of 2,3-Dichlorobenzenethiol
Property Insights of 2,3-Dichlorobenzenethiol
The XLogP value of 3.7 indicates that 2,3-Dichlorobenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,3-Dichlorobenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichlorobenzenethiol 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 2,3-Dichlorobenzenethiol?
The CAS number of 2,3-Dichlorobenzenethiol is 17231-95-7.
What is the molecular formula of 2,3-Dichlorobenzenethiol?
The molecular formula of 2,3-Dichlorobenzenethiol is C6H4Cl2S.
What is the molecular weight of 2,3-Dichlorobenzenethiol?
The molecular weight of 2,3-Dichlorobenzenethiol is 177.94 g/mol.
Where can I buy 2,3-Dichlorobenzenethiol?
You can request a quote for 2,3-Dichlorobenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichlorobenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichlorobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.