2-Propenoic acid, 3-(methylthio)-, methyl ester
TL;DR: 2-Propenoic acid, 3-(methylthio)-, methyl ester (CAS 13733-57-8) is a chemical compound with molecular formula C5H8O2S and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylsulfanylprop-2-enoate
Also Known As: Methyl 3-(methylsulfanyl)prop-2-enoate, methyl 3-methylsulfanylprop-2-enoate, 2-Propenoic acid, 3-(methylthio)-, methyl ester, 2-Propenoicacid,3-(methylthio)-,methylester
| Molecular Formula | C5H8O2S |
|---|---|
| Molecular Weight | 132.02 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 | 132.0245 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 13733-57-8 |
|---|---|
| SMILES | COC(=O)C=CSC |
| InChIKey | KAFIOMPFBSDFPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(methylthio)-, methyl ester (CAS 13733-57-8), with molecular formula C5H8O2S and molecular weight 132.02 g/mol. IUPAC: methyl 3-methylsulfanylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(methylthio)-, methyl ester
Property Insights of 2-Propenoic acid, 3-(methylthio)-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(methylthio)-, methyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, 2-Propenoic acid, 3-(methylthio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(methylthio)-, methyl ester 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 2-Propenoic acid, 3-(methylthio)-, methyl ester?
The CAS number of 2-Propenoic acid, 3-(methylthio)-, methyl ester is 13733-57-8.
What is the molecular formula of 2-Propenoic acid, 3-(methylthio)-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-(methylthio)-, methyl ester is C5H8O2S.
What is the molecular weight of 2-Propenoic acid, 3-(methylthio)-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-(methylthio)-, methyl ester is 132.02 g/mol.
Where can I buy 2-Propenoic acid, 3-(methylthio)-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-(methylthio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(methylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(methylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.