Ethyl (methylthio)acetate
TL;DR: Ethyl (methylthio)acetate (CAS 4455-13-4) 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.
ethyl 2-methylsulfanylacetate
Also Known As: Ethyl (methylthio)acetate, Ethyl 2-(methylthio)acetate, ethyl 2-methylsulfanylacetate, Ethyl 2-(methylthio)-acetate, ethyl 2-(methylsulfanyl)acetate
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Boiling Point | 70.00 to 72.00 °C. @ 12.00 mm Hg |
| Density | 1.038-1.043 |
| Solubility | very slightly |
| Refractive Index | 1.454-1.462 |
Chemical Identifiers
| CAS Number | 4455-13-4 |
|---|---|
| SMILES | CCOC(=O)CSC |
| InChIKey | MDIAKIHKBBNYHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (methylthio)acetate (CAS 4455-13-4), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: ethyl 2-methylsulfanylacetate.
Chemical Property Profile of Ethyl (methylthio)acetate
Property Insights of Ethyl (methylthio)acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (methylthio)acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl (methylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (methylthio)acetate 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 Ethyl (methylthio)acetate?
The CAS number of Ethyl (methylthio)acetate is 4455-13-4.
What is the molecular formula of Ethyl (methylthio)acetate?
The molecular formula of Ethyl (methylthio)acetate is C5H10O2S.
What is the molecular weight of Ethyl (methylthio)acetate?
The molecular weight of Ethyl (methylthio)acetate is 134.04 g/mol.
Where can I buy Ethyl (methylthio)acetate?
You can request a quote for Ethyl (methylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (methylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (methylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.