Methyl 3-mercaptopropionate
TL;DR: Methyl 3-mercaptopropionate (CAS 2935-90-2) 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 3-sulfanylpropanoate
Also Known As: METHYL 3-MERCAPTOPROPIONATE, methyl 3-mercaptopropanoate, Methyl 3-sulfanylpropanoate, 3-Mercaptopropionic acid methyl ester, Methyl mercaptopropionate
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 2935-90-2 |
|---|---|
| SMILES | COC(=O)CCS |
| InChIKey | LDTLDBDUBGAEDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-mercaptopropionate (CAS 2935-90-2), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: methyl 3-sulfanylpropanoate.
Chemical Property Profile of Methyl 3-mercaptopropionate
Property Insights of Methyl 3-mercaptopropionate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-mercaptopropionate. With a topological polar surface area (TPSA) of 27.3 Ų, Methyl 3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-mercaptopropionate has 1 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 3-mercaptopropionate?
The CAS number of Methyl 3-mercaptopropionate is 2935-90-2.
What is the molecular formula of Methyl 3-mercaptopropionate?
The molecular formula of Methyl 3-mercaptopropionate is C4H8O2S.
What is the molecular weight of Methyl 3-mercaptopropionate?
The molecular weight of Methyl 3-mercaptopropionate is 120.02 g/mol.
Where can I buy Methyl 3-mercaptopropionate?
You can request a quote for Methyl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.