Ethyl chlorothioformate
TL;DR: Ethyl chlorothioformate (CAS 2941-64-2) is a chemical compound with molecular formula C3H5ClOS and molecular weight 123.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl chloromethanethioate
Also Known As: Ethyl chlorothioformate, Ethyl chlorothiolformate, S-Ethyl chlorothioformate, Ethyl thiochloroformate, Ethylthiol chloroformate
| Molecular Formula | C3H5ClOS |
|---|---|
| Molecular Weight | 123.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.97496 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
| Boiling Point | 132.2 °C at 760 mmHg |
| Density | 1.195 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 30.6 °C |
| Vapor Pressure | 111 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 2941-64-2 |
|---|---|
| SMILES | CCSC(=O)Cl |
| InChIKey | QCMHWZUFWLOOGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl chlorothioformate (CAS 2941-64-2), with molecular formula C3H5ClOS and molecular weight 123.97 g/mol. IUPAC: S-ethyl chloromethanethioate.
Chemical Property Profile of Ethyl chlorothioformate
Property Insights of Ethyl chlorothioformate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl chlorothioformate. With a topological polar surface area (TPSA) of 42.4 Ų, Ethyl chlorothioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl chlorothioformate 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
Frequently Asked Questions
What is the CAS number of Ethyl chlorothioformate?
The CAS number of Ethyl chlorothioformate is 2941-64-2.
What is the molecular formula of Ethyl chlorothioformate?
The molecular formula of Ethyl chlorothioformate is C3H5ClOS.
What is the molecular weight of Ethyl chlorothioformate?
The molecular weight of Ethyl chlorothioformate is 123.97 g/mol.
Where can I buy Ethyl chlorothioformate?
You can request a quote for Ethyl chlorothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl chlorothioformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl chlorothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.