Allyl dithioacetate
TL;DR: Allyl dithioacetate (CAS 27249-83-8) is a chemical compound with molecular formula C5H8S2 and molecular weight 132.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl ethanedithioate
Also Known As: Allyl dithioacetate, Allyl ethanedithioate #, dithioacetic acid allyl ester, prop-2-enyl ethanedithioate
| Molecular Formula | C5H8S2 |
|---|---|
| Molecular Weight | 132.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.00674 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 27249-83-8 |
|---|---|
| SMILES | CC(=S)SCC=C |
| InChIKey | SGOSBDRHGJZVRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl dithioacetate (CAS 27249-83-8), with molecular formula C5H8S2 and molecular weight 132.01 g/mol. IUPAC: prop-2-enyl ethanedithioate.
Chemical Property Profile of Allyl dithioacetate
Property Insights of Allyl dithioacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl dithioacetate. With a topological polar surface area (TPSA) of 57.4 Ų, Allyl dithioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl dithioacetate 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 dithioacetate?
The CAS number of Allyl dithioacetate is 27249-83-8.
What is the molecular formula of Allyl dithioacetate?
The molecular formula of Allyl dithioacetate is C5H8S2.
What is the molecular weight of Allyl dithioacetate?
The molecular weight of Allyl dithioacetate is 132.01 g/mol.
Where can I buy Allyl dithioacetate?
You can request a quote for Allyl dithioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl dithioacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl dithioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.