Methyl ethanesulfinate
TL;DR: Methyl ethanesulfinate (CAS 31401-21-5) is a chemical compound with molecular formula C3H8O2S and molecular weight 108.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl ethanesulfinate
Also Known As: Methyl ethanesulfinate, O-Methyl-ethansulfinat, Ethanesulfinic acid, methyl ester, methyl ethane-1-sulfinate, Ethanesulfinic acid,methyl ester
| Molecular Formula | C3H8O2S |
|---|---|
| Molecular Weight | 108.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0245 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 31401-21-5 |
|---|---|
| SMILES | CCS(=O)OC |
| InChIKey | UTOWKUXZEJXEMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl ethanesulfinate (CAS 31401-21-5), with molecular formula C3H8O2S and molecular weight 108.02 g/mol. IUPAC: methyl ethanesulfinate.
Chemical Property Profile of Methyl ethanesulfinate
Property Insights of Methyl ethanesulfinate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ethanesulfinate. With a topological polar surface area (TPSA) of 45.5 Ų, Methyl ethanesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl ethanesulfinate has 0 hydrogen bond donor(s) and 3 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 ethanesulfinate?
The CAS number of Methyl ethanesulfinate is 31401-21-5.
What is the molecular formula of Methyl ethanesulfinate?
The molecular formula of Methyl ethanesulfinate is C3H8O2S.
What is the molecular weight of Methyl ethanesulfinate?
The molecular weight of Methyl ethanesulfinate is 108.02 g/mol.
Where can I buy Methyl ethanesulfinate?
You can request a quote for Methyl ethanesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ethanesulfinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ethanesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.