Methyl chloromethanethioate
TL;DR: Methyl chloromethanethioate (CAS 2812-72-8) 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.
O-methyl chloromethanethioate
Also Known As: methyl chloromethanethioate, Methyl chlorothioformate, O-Methyl chlorothioformate, Methoxythiocarbonyl chloride, methyl chloromonothioformate
| Molecular Formula | C2H3ClOS |
|---|---|
| Molecular Weight | 109.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.95931 |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 2812-72-8 |
|---|---|
| SMILES | COC(=S)Cl |
| InChIKey | HXFVUECWGARNTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chloromethanethioate (CAS 2812-72-8), with molecular formula C2H3ClOS and molecular weight 109.96 g/mol. IUPAC: O-methyl chloromethanethioate.
Chemical Property Profile of Methyl chloromethanethioate
Property Insights of Methyl chloromethanethioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chloromethanethioate. With a topological polar surface area (TPSA) of 41.3 Ų, Methyl chloromethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl chloromethanethioate 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 Methyl chloromethanethioate?
The CAS number of Methyl chloromethanethioate is 2812-72-8.
What is the molecular formula of Methyl chloromethanethioate?
The molecular formula of Methyl chloromethanethioate is C2H3ClOS.
What is the molecular weight of Methyl chloromethanethioate?
The molecular weight of Methyl chloromethanethioate is 109.96 g/mol.
Where can I buy Methyl chloromethanethioate?
You can request a quote for Methyl chloromethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chloromethanethioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chloromethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.