Prop-2-en-1-yl 2-sulfanylpropanoate
TL;DR: Prop-2-en-1-yl 2-sulfanylpropanoate (CAS 16883-50-4) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-sulfanylpropanoate
Also Known As: prop-2-enyl 2-sulfanylpropanoate, Allyl 2-sulfanylpropanoate #, Propionic acid, 2-mercapto-, allyl ester, Prop-2-en-1-yl 2-sulfanylpropanoate, Allylester of 2-Mercaptopropionic acid
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 16883-50-4 |
|---|---|
| SMILES | CC(C(=O)OCC=C)S |
| InChIKey | UTIYASJLWJJSCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-en-1-yl 2-sulfanylpropanoate (CAS 16883-50-4), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: prop-2-enyl 2-sulfanylpropanoate.
Chemical Property Profile of Prop-2-en-1-yl 2-sulfanylpropanoate
Property Insights of Prop-2-en-1-yl 2-sulfanylpropanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-en-1-yl 2-sulfanylpropanoate. With a topological polar surface area (TPSA) of 27.3 Ų, Prop-2-en-1-yl 2-sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-en-1-yl 2-sulfanylpropanoate has 1 hydrogen bond donor(s) and 3 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 Prop-2-en-1-yl 2-sulfanylpropanoate?
The CAS number of Prop-2-en-1-yl 2-sulfanylpropanoate is 16883-50-4.
What is the molecular formula of Prop-2-en-1-yl 2-sulfanylpropanoate?
The molecular formula of Prop-2-en-1-yl 2-sulfanylpropanoate is C6H10O2S.
What is the molecular weight of Prop-2-en-1-yl 2-sulfanylpropanoate?
The molecular weight of Prop-2-en-1-yl 2-sulfanylpropanoate is 146.04 g/mol.
Where can I buy Prop-2-en-1-yl 2-sulfanylpropanoate?
You can request a quote for Prop-2-en-1-yl 2-sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-en-1-yl 2-sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl 2-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.