Acetic acid, mercapto-, 2-chloroethyl ester
TL;DR: Acetic acid, mercapto-, 2-chloroethyl ester (CAS 63906-38-7) is a chemical compound with molecular formula C4H7ClO2S and molecular weight 153.98553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl 2-sulfanylacetate
Also Known As: chloroethyl thioglycolate, 2-chloroethyl 2-sulfanylacetate, TL 333, 2-Chloroethyl sulfanylacetate, Acetic acid, thiol, 2-chloroethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7ClO2S |
| Molecular Weight | 153.98553 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.98553 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| SMILES | C(CCl)OC(=O)CS |
| InChIKey | WXQHDEXEROWAAQ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, mercapto-, 2-chloroethyl ester
Property Insights of Acetic acid, mercapto-, 2-chloroethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, mercapto-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 27.3 Ų, Acetic acid, mercapto-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, mercapto-, 2-chloroethyl ester has 1 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 Acetic acid, mercapto-, 2-chloroethyl ester?
The CAS number of Acetic acid, mercapto-, 2-chloroethyl ester is 63906-38-7.
What is the molecular formula of Acetic acid, mercapto-, 2-chloroethyl ester?
The molecular formula of Acetic acid, mercapto-, 2-chloroethyl ester is C4H7ClO2S.
What is the molecular weight of Acetic acid, mercapto-, 2-chloroethyl ester?
The molecular weight of Acetic acid, mercapto-, 2-chloroethyl ester is 153.98553 g/mol.
Where can I buy Acetic acid, mercapto-, 2-chloroethyl ester?
You can request a quote for Acetic acid, mercapto-, 2-chloroethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, mercapto-, 2-chloroethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, mercapto-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.