((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide
TL;DR: ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide (CAS 112740-60-0) is a chemical compound with molecular formula C5H10BrNO2S and molecular weight 226.96156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium bromide
Also Known As: ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide, Sulfonium, (3-(hydroxyimino)-2-oxopropyl)dimethyl-, bromide, (E)-, [(3E)-3-hydroxyimino-2-oxo-propyl]-dimethyl-sulfanium Bromide
Technical Specifications
| Molecular Formula | C5H10BrNO2S |
| Molecular Weight | 226.96156 g/mol |
| XLogP | -3.1026 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.96156 Da |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
| SMILES | C[S+](C)CC(=O)/C=N/O.[Br-] |
| InChIKey | NHECNISRGQAYIN-UHFFFAOYSA-N |
Chemical Property Profile of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide
Property Insights of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide
The XLogP value of -3.1026 indicates that ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.7 Ų, ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide?
The CAS number of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide is 112740-60-0.
What is the molecular formula of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide?
The molecular formula of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide is C5H10BrNO2S.
What is the molecular weight of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide?
The molecular weight of ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide is 226.96156 g/mol.
Where can I buy ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide?
You can request a quote for ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide?
Yes, CoreyChem provides custom synthesis services for ((E)-3-(Hydroxyimino)acetonyl)dimethylsulfonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.