Ethanol, 2-mercapto-, 1-propanoate
TL;DR: Ethanol, 2-mercapto-, 1-propanoate (CAS 70892-79-4) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl propanoate
Also Known As: 2-sulfanylethyl propanoate, 2-Mercaptoethyl propanoate, Ethanol, 2-mercapto-, 1-propanoate, 2-mercaptoethyl propionate, Propanoicacid2-mercaptoethylester
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 70892-79-4 |
|---|---|
| SMILES | CCC(=O)OCCS |
| InChIKey | SYCUXYFMYZXKMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-mercapto-, 1-propanoate (CAS 70892-79-4), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: 2-sulfanylethyl propanoate.
Chemical Property Profile of Ethanol, 2-mercapto-, 1-propanoate
Property Insights of Ethanol, 2-mercapto-, 1-propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-mercapto-, 1-propanoate. With a topological polar surface area (TPSA) of 27.3 Ų, Ethanol, 2-mercapto-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-mercapto-, 1-propanoate has 1 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 Ethanol, 2-mercapto-, 1-propanoate?
The CAS number of Ethanol, 2-mercapto-, 1-propanoate is 70892-79-4.
What is the molecular formula of Ethanol, 2-mercapto-, 1-propanoate?
The molecular formula of Ethanol, 2-mercapto-, 1-propanoate is C5H10O2S.
What is the molecular weight of Ethanol, 2-mercapto-, 1-propanoate?
The molecular weight of Ethanol, 2-mercapto-, 1-propanoate is 134.04 g/mol.
Where can I buy Ethanol, 2-mercapto-, 1-propanoate?
You can request a quote for Ethanol, 2-mercapto-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-mercapto-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-mercapto-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.