Methyl 2-(methylsulfanyl)propanoate
TL;DR: Methyl 2-(methylsulfanyl)propanoate (CAS 331794-30-0) 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.
methyl 2-methylsulfanylpropanoate
Also Known As: methyl 2-(methylthio)propionate, Methyl 2-(methylsulfanyl)propanoate, Methyl 2-methylthiopropionate, methyl 2-methylsulfanylpropanoate, methyl 2-(methylthio)propanoate
| 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 | 3 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 331794-30-0 |
|---|---|
| SMILES | CC(C(=O)OC)SC |
| InChIKey | QMPSBIWJVUCDKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(methylsulfanyl)propanoate (CAS 331794-30-0), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: methyl 2-methylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-(methylsulfanyl)propanoate
Property Insights of Methyl 2-(methylsulfanyl)propanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(methylsulfanyl)propanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 2-(methylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(methylsulfanyl)propanoate 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 2-(methylsulfanyl)propanoate?
The CAS number of Methyl 2-(methylsulfanyl)propanoate is 331794-30-0.
What is the molecular formula of Methyl 2-(methylsulfanyl)propanoate?
The molecular formula of Methyl 2-(methylsulfanyl)propanoate is C5H10O2S.
What is the molecular weight of Methyl 2-(methylsulfanyl)propanoate?
The molecular weight of Methyl 2-(methylsulfanyl)propanoate is 134.04 g/mol.
Where can I buy Methyl 2-(methylsulfanyl)propanoate?
You can request a quote for Methyl 2-(methylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(methylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.