s-But-3-en-1-yl ethanethioate
TL;DR: s-But-3-en-1-yl ethanethioate (CAS 7570-90-3) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-but-3-enyl ethanethioate
Also Known As: 3-butenyl thioacetate, s-but-3-en-1-yl ethanethioate, S-but-3-enyl ethanethioate, Ethanethioic acid, S-3-buten-1-yl ester, S-(But-3-en-1-yl) ethanethioate
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 7570-90-3 |
|---|---|
| SMILES | CC(=O)SCCC=C |
| InChIKey | ZKFBKOWREUCLCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-But-3-en-1-yl ethanethioate (CAS 7570-90-3), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: S-but-3-enyl ethanethioate.
Chemical Property Profile of s-But-3-en-1-yl ethanethioate
Property Insights of s-But-3-en-1-yl ethanethioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-But-3-en-1-yl ethanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, s-But-3-en-1-yl ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-But-3-en-1-yl 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-But-3-en-1-yl ethanethioate?
The CAS number of s-But-3-en-1-yl ethanethioate is 7570-90-3.
What is the molecular formula of s-But-3-en-1-yl ethanethioate?
The molecular formula of s-But-3-en-1-yl ethanethioate is C6H10OS.
What is the molecular weight of s-But-3-en-1-yl ethanethioate?
The molecular weight of s-But-3-en-1-yl ethanethioate is 130.05 g/mol.
Where can I buy s-But-3-en-1-yl ethanethioate?
You can request a quote for s-But-3-en-1-yl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-But-3-en-1-yl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-But-3-en-1-yl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.