Methyl (methylthio)acetate
TL;DR: Methyl (methylthio)acetate (CAS 16630-66-3) 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.
methyl 2-methylsulfanylacetate
Also Known As: Methyl (methylthio)acetate, Methyl 2-(methylthio)acetate, methyl 2-methylsulfanylacetate, methyl methylthioacetate, methyl 2-(methylsulfanyl)acetate
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 49.00 to 51.00 °C. @ 12.00 mm Hg |
| Density | 1.105-1.115 (20°) |
| Solubility | Soluble in non-polar solvents; insoluble in water |
| Refractive Index | 1.464-1.466 |
Chemical Identifiers
| CAS Number | 16630-66-3 |
|---|---|
| SMILES | COC(=O)CSC |
| InChIKey | HZYCAKGEXXKCDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (methylthio)acetate (CAS 16630-66-3), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: methyl 2-methylsulfanylacetate.
Chemical Property Profile of Methyl (methylthio)acetate
Property Insights of Methyl (methylthio)acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (methylthio)acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl (methylthio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (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 Methyl (methylthio)acetate?
The CAS number of Methyl (methylthio)acetate is 16630-66-3.
What is the molecular formula of Methyl (methylthio)acetate?
The molecular formula of Methyl (methylthio)acetate is C4H8O2S.
What is the molecular weight of Methyl (methylthio)acetate?
The molecular weight of Methyl (methylthio)acetate is 120.02 g/mol.
Where can I buy Methyl (methylthio)acetate?
You can request a quote for Methyl (methylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (methylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (methylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.