Butyl 3-mercaptopropionate
TL;DR: Butyl 3-mercaptopropionate (CAS 16215-21-7) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3-sulfanylpropanoate
Also Known As: Butyl 3-mercaptopropionate, butyl 3-sulfanylpropanoate, Butyl mercaptopropionate, butyl 3-mercaptopropanoate, BUTYL3-MERCAPTOPROPIONATE
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2S |
| Molecular Weight | 162.07146 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.07146 Da |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| SMILES | CCCCOC(=O)CCS |
| InChIKey | MGFFVSDRCRVHLC-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 3-mercaptopropionate
Property Insights of Butyl 3-mercaptopropionate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-mercaptopropionate. With a topological polar surface area (TPSA) of 27.3 Ų, Butyl 3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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
What is the CAS number of Butyl 3-mercaptopropionate?
The CAS number of Butyl 3-mercaptopropionate is 16215-21-7.
What is the molecular formula of Butyl 3-mercaptopropionate?
The molecular formula of Butyl 3-mercaptopropionate is C7H14O2S.
What is the molecular weight of Butyl 3-mercaptopropionate?
The molecular weight of Butyl 3-mercaptopropionate is 162.07146 g/mol.
Where can I buy Butyl 3-mercaptopropionate?
You can request a quote for Butyl 3-mercaptopropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 3-mercaptopropionate?
Yes, CoreyChem provides custom synthesis services for Butyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.