Ethyl 3-mercaptobutyrate
TL;DR: Ethyl 3-mercaptobutyrate (CAS 156472-94-5) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-sulfanylbutanoate
Also Known As: Ethyl 3-mercaptobutyrate, Ethyl 3-sulfanylbutanoate, Ethyl 3-mercaptobutanoate, FEMA No. 3977, Ethyl3-sulfanylbutanoate
Technical Specifications
| Molecular Formula | C6H12O2S |
| Molecular Weight | 148.0558 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 Da |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
| SMILES | CCOC(=O)CC(C)S |
| InChIKey | FPBCNQQYLDBWMH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-mercaptobutyrate
Property Insights of Ethyl 3-mercaptobutyrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-mercaptobutyrate. With a topological polar surface area (TPSA) of 27.3 Ų, Ethyl 3-mercaptobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-mercaptobutyrate 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
What is the CAS number of Ethyl 3-mercaptobutyrate?
The CAS number of Ethyl 3-mercaptobutyrate is 156472-94-5.
What is the molecular formula of Ethyl 3-mercaptobutyrate?
The molecular formula of Ethyl 3-mercaptobutyrate is C6H12O2S.
What is the molecular weight of Ethyl 3-mercaptobutyrate?
The molecular weight of Ethyl 3-mercaptobutyrate is 148.0558 g/mol.
Where can I buy Ethyl 3-mercaptobutyrate?
You can request a quote for Ethyl 3-mercaptobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-mercaptobutyrate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-mercaptobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.