1-Propene-1-one, 3-(ethylthio)-
TL;DR: 1-Propene-1-one, 3-(ethylthio)- (CAS 5296-62-8) is a chemical compound with molecular formula C5H10S and molecular weight 102.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanylprop-1-ene
Also Known As: Allyl ethyl sulfide, 3-ethylsulfanylprop-1-ene, 4-thia-1-hexene, Allyl(ethyl)sulfide, 3-(ethylsulfanyl)prop-1-ene
| Molecular Formula | C5H10S |
|---|---|
| Molecular Weight | 102.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.05032 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
Chemical Identifiers
| CAS Number | 5296-62-8 |
|---|---|
| SMILES | CCSCC=C |
| InChIKey | NOJXPGXFDASWEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propene-1-one, 3-(ethylthio)- (CAS 5296-62-8), with molecular formula C5H10S and molecular weight 102.05 g/mol. IUPAC: 3-ethylsulfanylprop-1-ene.
Chemical Property Profile of 1-Propene-1-one, 3-(ethylthio)-
Property Insights of 1-Propene-1-one, 3-(ethylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene-1-one, 3-(ethylthio)-. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Propene-1-one, 3-(ethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propene-1-one, 3-(ethylthio)- has 0 hydrogen bond donor(s) and 1 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-Propene-1-one, 3-(ethylthio)-?
The CAS number of 1-Propene-1-one, 3-(ethylthio)- is 5296-62-8.
What is the molecular formula of 1-Propene-1-one, 3-(ethylthio)-?
The molecular formula of 1-Propene-1-one, 3-(ethylthio)- is C5H10S.
What is the molecular weight of 1-Propene-1-one, 3-(ethylthio)-?
The molecular weight of 1-Propene-1-one, 3-(ethylthio)- is 102.05 g/mol.
Where can I buy 1-Propene-1-one, 3-(ethylthio)-?
You can request a quote for 1-Propene-1-one, 3-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propene-1-one, 3-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propene-1-one, 3-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.