2,4-Dichlorobenzenemethanethiol
TL;DR: 2,4-Dichlorobenzenemethanethiol (CAS 59293-67-3) is a chemical compound with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methanethiol
Also Known As: 2,4-Dichlorobenzyl mercaptan, (2,4-Dichlorophenyl)methanethiol, 2,4-Dichlorobenzylmercaptan, 2,4-Dichlorobenzenemethanethiol, 2,4-dichlorophenylmethanethiol
| Molecular Formula | C7H6Cl2S |
|---|---|
| Molecular Weight | 191.96 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.95673 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 59293-67-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CS |
| InChIKey | ZSPXTTVUJDSRNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichlorobenzenemethanethiol (CAS 59293-67-3), with molecular formula C7H6Cl2S and molecular weight 191.96 g/mol. IUPAC: (2,4-dichlorophenyl)methanethiol.
Chemical Property Profile of 2,4-Dichlorobenzenemethanethiol
Property Insights of 2,4-Dichlorobenzenemethanethiol
The XLogP value of 3.5 indicates that 2,4-Dichlorobenzenemethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,4-Dichlorobenzenemethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzenemethanethiol 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 2,4-Dichlorobenzenemethanethiol?
The CAS number of 2,4-Dichlorobenzenemethanethiol is 59293-67-3.
What is the molecular formula of 2,4-Dichlorobenzenemethanethiol?
The molecular formula of 2,4-Dichlorobenzenemethanethiol is C7H6Cl2S.
What is the molecular weight of 2,4-Dichlorobenzenemethanethiol?
The molecular weight of 2,4-Dichlorobenzenemethanethiol is 191.96 g/mol.
Where can I buy 2,4-Dichlorobenzenemethanethiol?
You can request a quote for 2,4-Dichlorobenzenemethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzenemethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzenemethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.