1-Methylthio-2-propanone
TL;DR: 1-Methylthio-2-propanone (CAS 14109-72-9) is a chemical compound with molecular formula C4H8OS and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylpropan-2-one
Also Known As: 1-methylthio-2-propanone, (Methylthio)acetone, 1-methylsulfanylpropan-2-one, 2-Thia-4-pentanone, 2-Propanone, 1-(methylthio)-
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.9384 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.509773 |
Chemical Identifiers
| CAS Number | 14109-72-9 |
|---|---|
| SMILES | CC(=O)CSC |
Product Overview
1-Methylthio-2-propanone (CAS 14109-72-9), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: 1-methylsulfanylpropan-2-one.
Chemical Property Profile of 1-Methylthio-2-propanone
Property Insights of 1-Methylthio-2-propanone
The XLogP value of 0.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylthio-2-propanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Methylthio-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylthio-2-propanone 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-2-propanone?
The CAS number of 1-Methylthio-2-propanone is 14109-72-9.
What is the molecular formula of 1-Methylthio-2-propanone?
The molecular formula of 1-Methylthio-2-propanone is C4H8OS.
What is the molecular weight of 1-Methylthio-2-propanone?
The molecular weight of 1-Methylthio-2-propanone is 104.03 g/mol.
Where can I buy 1-Methylthio-2-propanone?
You can request a quote for 1-Methylthio-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylthio-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylthio-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.