Methyl (methylsulphinyl)acetate
TL;DR: Methyl (methylsulphinyl)acetate (CAS 52147-67-8) is a chemical compound with molecular formula C4H8O3S and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylsulfinylacetate
Also Known As: methyl 2-methanesulfinylacetate, Methyl (methylsulphinyl)acetate, methyl 2-methylsulfinylacetate, Methyl (methylsulfinyl)acetate, methyl(methylsulfinyl)acetate
| Molecular Formula | C4H8O3S |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.01941 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 52147-67-8 |
|---|---|
| SMILES | COC(=O)CS(=O)C |
| InChIKey | DWNQOKWDJKLVEW-UHFFFAOYSA-N |
Product Overview
Methyl (methylsulphinyl)acetate (CAS 52147-67-8), with molecular formula C4H8O3S and molecular weight 136.02 g/mol. IUPAC: methyl 2-methylsulfinylacetate.
Chemical Property Profile of Methyl (methylsulphinyl)acetate
Property Insights of Methyl (methylsulphinyl)acetate
The XLogP value of -0.6 indicates that Methyl (methylsulphinyl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (methylsulphinyl)acetate. Following Lipinski's Rule of Five, Methyl (methylsulphinyl)acetate has 0 hydrogen bond donor(s) and 4 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 (methylsulphinyl)acetate?
The CAS number of Methyl (methylsulphinyl)acetate is 52147-67-8.
What is the molecular formula of Methyl (methylsulphinyl)acetate?
The molecular formula of Methyl (methylsulphinyl)acetate is C4H8O3S.
What is the molecular weight of Methyl (methylsulphinyl)acetate?
The molecular weight of Methyl (methylsulphinyl)acetate is 136.02 g/mol.
Where can I buy Methyl (methylsulphinyl)acetate?
You can request a quote for Methyl (methylsulphinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (methylsulphinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (methylsulphinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.