4-(Methylthio)-2-pentanone
TL;DR: 4-(Methylthio)-2-pentanone (CAS 143764-28-7) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfanylpentan-2-one
Also Known As: 4-(Methylthio)-2-pentanone, 4-methylsulfanylpentan-2-one, 2-Pentanone, 4-(methylthio)-, FEMA No. 4182, 4-(Methylthio)-2-butanone
Technical Specifications
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.06088 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.06088 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| SMILES | CC(CC(=O)C)SC |
| InChIKey | PNJBGQMNUMZADU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Methylthio)-2-pentanone
Property Insights of 4-(Methylthio)-2-pentanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)-2-pentanone. With a topological polar surface area (TPSA) of 42.4 Ų, 4-(Methylthio)-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)-2-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
What is the CAS number of 4-(Methylthio)-2-pentanone?
The CAS number of 4-(Methylthio)-2-pentanone is 143764-28-7.
What is the molecular formula of 4-(Methylthio)-2-pentanone?
The molecular formula of 4-(Methylthio)-2-pentanone is C6H12OS.
What is the molecular weight of 4-(Methylthio)-2-pentanone?
The molecular weight of 4-(Methylthio)-2-pentanone is 132.06088 g/mol.
Where can I buy 4-(Methylthio)-2-pentanone?
You can request a quote for 4-(Methylthio)-2-pentanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Methylthio)-2-pentanone?
Yes, CoreyChem provides custom synthesis services for 4-(Methylthio)-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.