Ethanol, 2-mercapto-, 1-acetate
TL;DR: Ethanol, 2-mercapto-, 1-acetate (CAS 5862-40-8) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl acetate
Also Known As: 2-Mercaptoethyl acetate, 2-sulfanylethyl acetate, 2-acetoxyethanethiol, Ethanol,1-acetate, mercaptoethyl acetate
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 5862-40-8 |
|---|---|
| SMILES | CC(=O)OCCS |
| InChIKey | YDLAHBBJAGGIJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-mercapto-, 1-acetate (CAS 5862-40-8), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 2-sulfanylethyl acetate.
Chemical Property Profile of Ethanol, 2-mercapto-, 1-acetate
Property Insights of Ethanol, 2-mercapto-, 1-acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-mercapto-, 1-acetate. With a topological polar surface area (TPSA) of 27.3 Ų, Ethanol, 2-mercapto-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-mercapto-, 1-acetate 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-acetate?
The CAS number of Ethanol, 2-mercapto-, 1-acetate is 5862-40-8.
What is the molecular formula of Ethanol, 2-mercapto-, 1-acetate?
The molecular formula of Ethanol, 2-mercapto-, 1-acetate is C4H8O2S.
What is the molecular weight of Ethanol, 2-mercapto-, 1-acetate?
The molecular weight of Ethanol, 2-mercapto-, 1-acetate is 120.02 g/mol.
Where can I buy Ethanol, 2-mercapto-, 1-acetate?
You can request a quote for Ethanol, 2-mercapto-, 1-acetate 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-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-mercapto-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.