Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester
TL;DR: Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester (CAS 10553-78-3) is a chemical compound with molecular formula C4H5ClO2S and molecular weight 151.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(2-chloro-2-oxoethyl) ethanethioate
Also Known As: S-(2-Chloro-2-oxoethyl) ethanethioate, acetylmercaptoacetyl chloride, Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester, 2-acetylmercaptoacetic acid chloride, acid chloride of acetylthioacetic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5ClO2S |
| Molecular Weight | 151.96988 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.96988 Da |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
| SMILES | CC(=O)SCC(=O)Cl |
| InChIKey | CDVXHLKKIJCRHD-UHFFFAOYSA-N |
Chemical Property Profile of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester
Property Insights of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester. With a topological polar surface area (TPSA) of 59.4 Ų, Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester?
The CAS number of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester is 10553-78-3.
What is the molecular formula of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester?
The molecular formula of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester is C4H5ClO2S.
What is the molecular weight of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester?
The molecular weight of Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester is 151.96988 g/mol.
Where can I buy Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester?
You can request a quote for Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester?
Yes, CoreyChem provides custom synthesis services for Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.