Ethanethioic acid, chloro-
TL;DR: Ethanethioic acid, chloro- (CAS 867-49-2) is a chemical compound with molecular formula C2H3ClOS and molecular weight 109.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethanethioic S-acid
Also Known As: Chloroethanethioate, Ethanethioic acid, chloro-, chlorothioacetic acid, Chlorothiolacetic acid, alpha-Chlorothioacetic acid
| Molecular Formula | C2H3ClOS |
|---|---|
| Molecular Weight | 109.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.95931 |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 867-49-2 |
|---|---|
| SMILES | C(C(=O)S)Cl |
| InChIKey | IRYMZPFJICXSLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethioic acid, chloro- (CAS 867-49-2), with molecular formula C2H3ClOS and molecular weight 109.96 g/mol. IUPAC: 2-chloroethanethioic S-acid.
Chemical Property Profile of Ethanethioic acid, chloro-
Property Insights of Ethanethioic acid, chloro-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, chloro-. With a topological polar surface area (TPSA) of 18.1 Ų, Ethanethioic acid, chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, chloro- has 1 hydrogen bond donor(s) and 2 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 Ethanethioic acid, chloro-?
The CAS number of Ethanethioic acid, chloro- is 867-49-2.
What is the molecular formula of Ethanethioic acid, chloro-?
The molecular formula of Ethanethioic acid, chloro- is C2H3ClOS.
What is the molecular weight of Ethanethioic acid, chloro-?
The molecular weight of Ethanethioic acid, chloro- is 109.96 g/mol.
Where can I buy Ethanethioic acid, chloro-?
You can request a quote for Ethanethioic acid, chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, chloro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.