Methylthiomethyl Acetate
TL;DR: Methylthiomethyl Acetate (CAS 20064-42-0) 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.
methylsulfanylmethyl acetate
Also Known As: Methylthiomethyl Acetate, (methylsulfanyl)methyl acetate, Methylsulfanylmethyl Acetate, Acetic Acid Methylthiomethyl Ester, (Methylthio)methyl acetate
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.9 |
| 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 |
Chemical Identifiers
| CAS Number | 20064-42-0 |
|---|---|
| SMILES | CC(=O)OCSC |
| InChIKey | LCUMNXCSNFGGGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylthiomethyl Acetate (CAS 20064-42-0), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: methylsulfanylmethyl acetate.
Chemical Property Profile of Methylthiomethyl Acetate
Property Insights of Methylthiomethyl Acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiomethyl Acetate. With a topological polar surface area (TPSA) of 51.6 Ų, Methylthiomethyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthiomethyl 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 Methylthiomethyl Acetate?
The CAS number of Methylthiomethyl Acetate is 20064-42-0.
What is the molecular formula of Methylthiomethyl Acetate?
The molecular formula of Methylthiomethyl Acetate is C4H8O2S.
What is the molecular weight of Methylthiomethyl Acetate?
The molecular weight of Methylthiomethyl Acetate is 120.02 g/mol.
Where can I buy Methylthiomethyl Acetate?
You can request a quote for Methylthiomethyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiomethyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylthiomethyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.