3-Mercapto-1-butyl acetate
TL;DR: 3-Mercapto-1-butyl acetate (CAS 89534-38-3) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylbutyl acetate
Also Known As: 3-sulfanylbutyl acetate, 3-Thiobutyl acetate, 3-mercaptobutyl-acetate, 3-Mercapto-1-butyl acetate, 3-MERCAPTOBUTYL ACETATE
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.2579 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 91.05865 |
Chemical Identifiers
| CAS Number | 89534-38-3 |
|---|---|
| SMILES | CC(CCOC(=O)C)S |
Product Overview
3-Mercapto-1-butyl acetate (CAS 89534-38-3), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: 3-sulfanylbutyl acetate.
Chemical Property Profile of 3-Mercapto-1-butyl acetate
Property Insights of 3-Mercapto-1-butyl acetate
The XLogP value of 1.2579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-1-butyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Mercapto-1-butyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-1-butyl acetate 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 3-Mercapto-1-butyl acetate?
The CAS number of 3-Mercapto-1-butyl acetate is 89534-38-3.
What is the molecular formula of 3-Mercapto-1-butyl acetate?
The molecular formula of 3-Mercapto-1-butyl acetate is C6H12O2S.
What is the molecular weight of 3-Mercapto-1-butyl acetate?
The molecular weight of 3-Mercapto-1-butyl acetate is 148.06 g/mol.
Where can I buy 3-Mercapto-1-butyl acetate?
You can request a quote for 3-Mercapto-1-butyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-1-butyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-1-butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.