Ethyl 3-mercaptopropionate
TL;DR: Ethyl 3-mercaptopropionate (CAS 5466-06-8) 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.
ethyl 3-sulfanylpropanoate
Also Known As: ETHYL 3-MERCAPTOPROPIONATE, Ethyl 3-sulfanylpropanoate, Ethyl 3-mercaptopropanoate, tiagabine, Gabitril
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Boiling Point | 75.00 to 76.00 °C. @ 10.00 mm Hg |
| Density | density: 1.054 |
| Refractive Index | 1.454-1.460 |
Chemical Identifiers
| CAS Number | 5466-06-8 |
|---|---|
| SMILES | CCOC(=O)CCS |
| InChIKey | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-mercaptopropionate (CAS 5466-06-8), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: ethyl 3-sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-mercaptopropionate
Property Insights of Ethyl 3-mercaptopropionate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-mercaptopropionate. With a topological polar surface area (TPSA) of 27.3 Ų, Ethyl 3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 3-mercaptopropionate?
The CAS number of Ethyl 3-mercaptopropionate is 5466-06-8.
What is the molecular formula of Ethyl 3-mercaptopropionate?
The molecular formula of Ethyl 3-mercaptopropionate is C5H10O2S.
What is the molecular weight of Ethyl 3-mercaptopropionate?
The molecular weight of Ethyl 3-mercaptopropionate is 134.04 g/mol.
Where can I buy Ethyl 3-mercaptopropionate?
You can request a quote for Ethyl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.