3-(Allylthio)propanal
TL;DR: 3-(Allylthio)propanal (CAS 22963-07-1) 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.
3-prop-2-enylsulfanylpropanal
Also Known As: 3-(allylthio)propanal, 4-Thia-6-heptenal, 3-prop-2-enylsulfanylpropanal, 3-allylsulfanyl-propionaldehyde, Propanal,3-(2-propen-1-ylthio)-
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 22963-07-1 |
|---|---|
| SMILES | C=CCSCCC=O |
| InChIKey | AXZSEPBLUIEYQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Allylthio)propanal (CAS 22963-07-1), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 3-prop-2-enylsulfanylpropanal.
Chemical Property Profile of 3-(Allylthio)propanal
Property Insights of 3-(Allylthio)propanal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Allylthio)propanal. With a topological polar surface area (TPSA) of 42.4 Ų, 3-(Allylthio)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allylthio)propanal 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 3-(Allylthio)propanal?
The CAS number of 3-(Allylthio)propanal is 22963-07-1.
What is the molecular formula of 3-(Allylthio)propanal?
The molecular formula of 3-(Allylthio)propanal is C6H10OS.
What is the molecular weight of 3-(Allylthio)propanal?
The molecular weight of 3-(Allylthio)propanal is 130.05 g/mol.
Where can I buy 3-(Allylthio)propanal?
You can request a quote for 3-(Allylthio)propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Allylthio)propanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Allylthio)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.