Allyl thiopropionate
TL;DR: Allyl thiopropionate (CAS 41820-22-8) 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-prop-2-enyl propanethioate
Also Known As: Allyl thiopropionate, S-Allyl thiopropionate, null, Thioacrylic propionate, S-Allyl propanethioate
| 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 |
| Boiling Point | 150.00 to 151.00 °C. @ 760.00 mm Hg |
| Density | 0.898-0.902 |
| Refractive Index | 1.475-1.485 |
Chemical Identifiers
| CAS Number | 41820-22-8 |
|---|---|
| SMILES | CCC(=O)SCC=C |
| InChIKey | GKRISGLFPMFKSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl thiopropionate (CAS 41820-22-8), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: S-prop-2-enyl propanethioate.
Chemical Property Profile of Allyl thiopropionate
Property Insights of Allyl thiopropionate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl thiopropionate. With a topological polar surface area (TPSA) of 42.4 Ų, Allyl thiopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl thiopropionate 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 thiopropionate?
The CAS number of Allyl thiopropionate is 41820-22-8.
What is the molecular formula of Allyl thiopropionate?
The molecular formula of Allyl thiopropionate is C6H10OS.
What is the molecular weight of Allyl thiopropionate?
The molecular weight of Allyl thiopropionate is 130.05 g/mol.
Where can I buy Allyl thiopropionate?
You can request a quote for Allyl thiopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl thiopropionate?
Yes, KEHONG BIO provides custom synthesis services for Allyl thiopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.