Allyl thioacetate
TL;DR: Allyl thioacetate (CAS 23973-51-5) is a chemical compound with molecular formula C5H8OS and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-prop-2-enyl ethanethioate
Also Known As: allyl thioacetate, Allylthioacetate, S-Allyl ethanethioate, S-2-Propen-1-yl ethanethioate, S-prop-2-enyl ethanethioate
| Molecular Formula | C5H8OS |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.02959 |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 23973-51-5 |
|---|---|
| SMILES | CC(=O)SCC=C |
| InChIKey | MIRAUQNBKACECA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl thioacetate (CAS 23973-51-5), with molecular formula C5H8OS and molecular weight 116.03 g/mol. IUPAC: S-prop-2-enyl ethanethioate.
Chemical Property Profile of Allyl thioacetate
Property Insights of Allyl thioacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl thioacetate. With a topological polar surface area (TPSA) of 42.4 Ų, Allyl thioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl thioacetate 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 Allyl thioacetate?
The CAS number of Allyl thioacetate is 23973-51-5.
What is the molecular formula of Allyl thioacetate?
The molecular formula of Allyl thioacetate is C5H8OS.
What is the molecular weight of Allyl thioacetate?
The molecular weight of Allyl thioacetate is 116.03 g/mol.
Where can I buy Allyl thioacetate?
You can request a quote for Allyl thioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl thioacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.