Methyl chlorodithioformate
TL;DR: Methyl chlorodithioformate (CAS 16696-91-6) is a chemical compound with molecular formula C2H3ClS2 and molecular weight 125.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl chloromethanedithioate
Also Known As: Methyl chlorodithioformate, methyl chloromethanedithioate, Methyl chlorodithiocarbonate, Chlorodithioformic acid methyl ester, Methyl chloridodithiocarbonate #
| Molecular Formula | C2H3ClS2 |
|---|---|
| Molecular Weight | 125.94 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.93647 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 16696-91-6 |
|---|---|
| SMILES | CSC(=S)Cl |
| InChIKey | CRPQEIZIDRUDJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chlorodithioformate (CAS 16696-91-6), with molecular formula C2H3ClS2 and molecular weight 125.94 g/mol. IUPAC: methyl chloromethanedithioate.
Chemical Property Profile of Methyl chlorodithioformate
Property Insights of Methyl chlorodithioformate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chlorodithioformate. With a topological polar surface area (TPSA) of 57.4 Ų, Methyl chlorodithioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl chlorodithioformate 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 chlorodithioformate?
The CAS number of Methyl chlorodithioformate is 16696-91-6.
What is the molecular formula of Methyl chlorodithioformate?
The molecular formula of Methyl chlorodithioformate is C2H3ClS2.
What is the molecular weight of Methyl chlorodithioformate?
The molecular weight of Methyl chlorodithioformate is 125.94 g/mol.
Where can I buy Methyl chlorodithioformate?
You can request a quote for Methyl chlorodithioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chlorodithioformate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chlorodithioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.