S-Butyl ethanethioate
TL;DR: S-Butyl ethanethioate (CAS 928-47-2) is a chemical compound with molecular formula CCCCSC(=O)C and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl ethanethioate
Also Known As: S-Butyl ethanethioate, S-n-Butyl thioacetate, S-N-BUTYLTHIOACETATE, S-Butyl thioacetate, BUTYL THIOACETATE
| Molecular Formula | CCCCSC(=O)C |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 928-47-2 |
|---|---|
| SMILES | CCCCSC(=O)C |
| InChIKey | XBHDWERUSGIZNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Butyl ethanethioate (CAS 928-47-2), with molecular formula CCCCSC(=O)C and molecular weight 132.06 g/mol. IUPAC: S-butyl ethanethioate.
Chemical Property Profile of S-Butyl ethanethioate
Property Insights of S-Butyl ethanethioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Butyl ethanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-Butyl ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Butyl ethanethioate has 0 hydrogen bond donor(s) and 2 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 S-Butyl ethanethioate?
The CAS number of S-Butyl ethanethioate is 928-47-2.
What is the molecular formula of S-Butyl ethanethioate?
The molecular formula of S-Butyl ethanethioate is CCCCSC(=O)C.
What is the molecular weight of S-Butyl ethanethioate?
The molecular weight of S-Butyl ethanethioate is 132.06 g/mol.
Where can I buy S-Butyl ethanethioate?
You can request a quote for S-Butyl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Butyl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Butyl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.