4-(Phenylsulfinyl)butan-2-one
4-(benzenesulfinyl)butan-2-one
Also Known As: 4-(phenylsulfinyl)butan-2-one|4-(benzenesulfinyl)butan-2-one
CAS: 77657-95-5
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.0558 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Monoisotopic Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 77657-95-5 |
|---|---|
| SMILES | CC(=O)CCS(=O)C1=CC=CC=C1 |
| InChIKey | HNNOPQGAVNGTQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (2 patents)
Organic Building Blocks (5 patents)
Product Overview
4-(Phenylsulfinyl)butan-2-one (CAS 77657-95-5), with molecular formula C10H12O2S and molecular weight 196.0558 g/mol. IUPAC: 4-(benzenesulfinyl)butan-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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