1-(Methylthio)-3-pentanone
TL;DR: 1-(Methylthio)-3-pentanone (CAS 66735-69-1) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylpentan-3-one
Also Known As: 1-(Methylthio)-3-pentanone, 1-methylsulfanylpentan-3-one, 3-Pentanone, 1-(methylthio)-, 1-(Methylthio)pentan-3-one, 1-(methylsulfanyl)pentan-3-one
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 66735-69-1 |
|---|---|
| SMILES | CCC(=O)CCSC |
| InChIKey | LEZZIANNWFYCND-UHFFFAOYSA-N |
Product Overview
1-(Methylthio)-3-pentanone (CAS 66735-69-1), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 1-methylsulfanylpentan-3-one.
Chemical Property Profile of 1-(Methylthio)-3-pentanone
Property Insights of 1-(Methylthio)-3-pentanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylthio)-3-pentanone. With a topological polar surface area (TPSA) of 42.4 Ų, 1-(Methylthio)-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylthio)-3-pentanone 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-(Methylthio)-3-pentanone?
The CAS number of 1-(Methylthio)-3-pentanone is 66735-69-1.
What is the molecular formula of 1-(Methylthio)-3-pentanone?
The molecular formula of 1-(Methylthio)-3-pentanone is C6H12OS.
What is the molecular weight of 1-(Methylthio)-3-pentanone?
The molecular weight of 1-(Methylthio)-3-pentanone is 132.06 g/mol.
Where can I buy 1-(Methylthio)-3-pentanone?
You can request a quote for 1-(Methylthio)-3-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylthio)-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylthio)-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.