1-(Methylsulphonyl)acetone
TL;DR: 1-(Methylsulphonyl)acetone (CAS 5000-46-4) is a chemical compound with molecular formula C4H8O3S and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylpropan-2-one
Also Known As: METHYLSULFONYLACETONE, 1-(Methylsulfonyl)propan-2-one, Methanesulfonylacetone, 1-methylsulfonylpropan-2-one, methanesulphonylacetone
| Molecular Formula | C4H8O3S |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.01941 |
| Heavy Atoms | 8 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 5000-46-4 |
|---|---|
| SMILES | CC(=O)CS(=O)(=O)C |
| InChIKey | NWEYGXQKFVGUFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylsulphonyl)acetone (CAS 5000-46-4), with molecular formula C4H8O3S and molecular weight 136.02 g/mol. IUPAC: 1-methylsulfonylpropan-2-one.
Chemical Property Profile of 1-(Methylsulphonyl)acetone
Property Insights of 1-(Methylsulphonyl)acetone
The XLogP value of -0.6 indicates that 1-(Methylsulphonyl)acetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, 1-(Methylsulphonyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylsulphonyl)acetone has 0 hydrogen bond donor(s) and 3 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-(Methylsulphonyl)acetone?
The CAS number of 1-(Methylsulphonyl)acetone is 5000-46-4.
What is the molecular formula of 1-(Methylsulphonyl)acetone?
The molecular formula of 1-(Methylsulphonyl)acetone is C4H8O3S.
What is the molecular weight of 1-(Methylsulphonyl)acetone?
The molecular weight of 1-(Methylsulphonyl)acetone is 136.02 g/mol.
Where can I buy 1-(Methylsulphonyl)acetone?
You can request a quote for 1-(Methylsulphonyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulphonyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulphonyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.