4-Methylsulfanylpent-3-en-2-one
TL;DR: 4-Methylsulfanylpent-3-en-2-one (CAS 78429-69-3) 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.
4-methylsulfanylpent-3-en-2-one
Also Known As: 3-Penten-2-one, 4-(methylthio)- (9CI), 3-Penten-2-one, 4-(methylthio)-, (Z)-
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 78429-69-3 |
|---|---|
| SMILES | CC(=CC(=O)C)SC |
| InChIKey | JEVVTPRSFIWIPW-UHFFFAOYSA-N |
Product Overview
4-Methylsulfanylpent-3-en-2-one (CAS 78429-69-3), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 4-methylsulfanylpent-3-en-2-one.
Chemical Property Profile of 4-Methylsulfanylpent-3-en-2-one
Property Insights of 4-Methylsulfanylpent-3-en-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfanylpent-3-en-2-one. With a topological polar surface area (TPSA) of 42.4 Ų, 4-Methylsulfanylpent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylsulfanylpent-3-en-2-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 4-Methylsulfanylpent-3-en-2-one?
The CAS number of 4-Methylsulfanylpent-3-en-2-one is 78429-69-3.
What is the molecular formula of 4-Methylsulfanylpent-3-en-2-one?
The molecular formula of 4-Methylsulfanylpent-3-en-2-one is C6H10OS.
What is the molecular weight of 4-Methylsulfanylpent-3-en-2-one?
The molecular weight of 4-Methylsulfanylpent-3-en-2-one is 130.05 g/mol.
Where can I buy 4-Methylsulfanylpent-3-en-2-one?
You can request a quote for 4-Methylsulfanylpent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylsulfanylpent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfanylpent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.