![1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one structure](/static/products/6487/64878-08-6.webp)
1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one
TL;DR: 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one (CAS 64878-08-6) is a chemical compound with molecular formula C11H12OS and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-prop-2-enylsulfanylethanone
Also Known As: Allylphenacyl sulfide, alpha-(Allylthio)acetophenone, 2-(allylthio)-1-phenylethanone, 1-phenyl-2-prop-2-enylsulfanylethanone, 1-phenyl-2-(prop-2-en-1-ylsulfanyl)ethan-1-one
| Molecular Formula | C11H12OS |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.06088 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 64878-08-6 |
|---|---|
| SMILES | C=CCSCC(=O)C1=CC=CC=C1 |
| InChIKey | QGSIJILPPJCZSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one (CAS 64878-08-6), with molecular formula C11H12OS and molecular weight 192.06 g/mol. IUPAC: 1-phenyl-2-prop-2-enylsulfanylethanone.
Chemical Property Profile of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one
Property Insights of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one 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 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one?
The CAS number of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one is 64878-08-6.
What is the molecular formula of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one is C11H12OS.
What is the molecular weight of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one is 192.06 g/mol.
Where can I buy 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-[(prop-2-en-1-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.