S-(chloromethyl) ethanethioate
TL;DR: S-(chloromethyl) ethanethioate (CAS 42177-19-5) is a chemical compound with molecular formula C3H5ClOS and molecular weight 123.97496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(chloromethyl) ethanethioate
Also Known As: chloromethyl Thioacetate, S-(chloromethyl) ethanethioate, 1-(chloromethylsulfanyl)ethanone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5ClOS |
| Molecular Weight | 123.97496 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.97496 Da |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
| SMILES | CC(=O)SCCl |
| InChIKey | GUEVCVVOMDYAIA-UHFFFAOYSA-N |
Chemical Property Profile of S-(chloromethyl) ethanethioate
Property Insights of S-(chloromethyl) ethanethioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(chloromethyl) ethanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-(chloromethyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(chloromethyl) ethanethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(chloromethyl) ethanethioate?
The CAS number of S-(chloromethyl) ethanethioate is 42177-19-5.
What is the molecular formula of S-(chloromethyl) ethanethioate?
The molecular formula of S-(chloromethyl) ethanethioate is C3H5ClOS.
What is the molecular weight of S-(chloromethyl) ethanethioate?
The molecular weight of S-(chloromethyl) ethanethioate is 123.97496 g/mol.
Where can I buy S-(chloromethyl) ethanethioate?
You can request a quote for S-(chloromethyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(chloromethyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(chloromethyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.