chloromethanethioic S-acid;S-(chloromethyl) ethanethioate
TL;DR: chloromethanethioic S-acid;S-(chloromethyl) ethanethioate (CAS 2812-73-9) is a chemical compound with molecular formula C4H6Cl2O2S2 and molecular weight 219.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethanethioic S-acid;S-(chloromethyl) ethanethioate
Also Known As: Diethyl imidocarbonate, Ethyl chlorothioformate, Carbonochloridothioic acid, O-ethyl ester, chloromethanethioic S-acid;S-(chloromethyl) ethanethioate, chloromethanethioic S-acid; S-(chloromethyl) ethanethioate
| Molecular Formula | C4H6Cl2O2S2 |
|---|---|
| Molecular Weight | 219.92 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.91862 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2812-73-9 |
|---|---|
| SMILES | CC(=O)SCCl.C(=O)(S)Cl |
| InChIKey | ZFJKVFJMGDXNKD-UHFFFAOYSA-N |
Product Overview
chloromethanethioic S-acid;S-(chloromethyl) ethanethioate (CAS 2812-73-9), with molecular formula C4H6Cl2O2S2 and molecular weight 219.92 g/mol. IUPAC: chloromethanethioic S-acid;S-(chloromethyl) ethanethioate.
Chemical Property Profile of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate
Property Insights of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate
The XLogP value of 2.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for chloromethanethioic S-acid;S-(chloromethyl) ethanethioate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for chloromethanethioic S-acid;S-(chloromethyl) ethanethioate. Following Lipinski's Rule of Five, chloromethanethioic S-acid;S-(chloromethyl) ethanethioate has 1 hydrogen bond donor(s) and 4 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 chloromethanethioic S-acid;S-(chloromethyl) ethanethioate?
The CAS number of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate is 2812-73-9.
What is the molecular formula of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate?
The molecular formula of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate is C4H6Cl2O2S2.
What is the molecular weight of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate?
The molecular weight of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate is 219.92 g/mol.
Where can I buy chloromethanethioic S-acid;S-(chloromethyl) ethanethioate?
You can request a quote for chloromethanethioic S-acid;S-(chloromethyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chloromethanethioic S-acid;S-(chloromethyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for chloromethanethioic S-acid;S-(chloromethyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.