2-Oxo-3-(methylsulfonyl)propanal oxime
TL;DR: 2-Oxo-3-(methylsulfonyl)propanal oxime (CAS 112740-58-6) is a chemical compound with molecular formula C4H7NO4S and molecular weight 165.00958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1E)-1-hydroxyimino-3-methylsulfonylpropan-2-one
Also Known As: 2-oxo-3-(methylsulfonyl)propanal oxime, 1-Hydroxyimino-3-methylsulfonylacetone, 2-OXOPROPANAL OXIME,1-METHYLSULFONE, (1E)-1-Hydroxyimino-3-methylsulfonylpropan-2-one, 1-(hydroxyimino)-3-methanesulfonylpropan-2-one
Technical Specifications
| Molecular Formula | C4H7NO4S |
| Molecular Weight | 165.00958 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.00958 Da |
| Heavy Atoms | 10 |
| Complexity | 234.0 |
| SMILES | CS(=O)(=O)CC(=O)/C=N/O |
| InChIKey | GEKXLPLGSHHLAY-GORDUTHDSA-N |
Chemical Property Profile of 2-Oxo-3-(methylsulfonyl)propanal oxime
Property Insights of 2-Oxo-3-(methylsulfonyl)propanal oxime
The XLogP value of -0.7 indicates that 2-Oxo-3-(methylsulfonyl)propanal oxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-3-(methylsulfonyl)propanal oxime. Following Lipinski's Rule of Five, 2-Oxo-3-(methylsulfonyl)propanal oxime has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Oxo-3-(methylsulfonyl)propanal oxime?
The CAS number of 2-Oxo-3-(methylsulfonyl)propanal oxime is 112740-58-6.
What is the molecular formula of 2-Oxo-3-(methylsulfonyl)propanal oxime?
The molecular formula of 2-Oxo-3-(methylsulfonyl)propanal oxime is C4H7NO4S.
What is the molecular weight of 2-Oxo-3-(methylsulfonyl)propanal oxime?
The molecular weight of 2-Oxo-3-(methylsulfonyl)propanal oxime is 165.00958 g/mol.
Where can I buy 2-Oxo-3-(methylsulfonyl)propanal oxime?
You can request a quote for 2-Oxo-3-(methylsulfonyl)propanal oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-3-(methylsulfonyl)propanal oxime?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-3-(methylsulfonyl)propanal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.