3,3-Dimethyl-1-(phenylsulfanyl)butan-2-one
3,3-dimethyl-1-phenylsulfanylbutan-2-one
Also Known As: t-butyl phenylthiomethyl ketone|3,3-dimethyl-1-(phenylsulfanyl)butan-2-one|1-Phenylthio-3,3-dimethyl-2-butanone|3,3-dimethyl-1-phenylsulfanylbutan-2-one|3,3-dimethyl-1-phenylsulfanyl-butan-2-one|3,3-dimethyl-1-(phenylsulfanyl)-2-butanone
CAS: 37471-41-3
| Molecular Formula | C12H16OS |
|---|---|
| Molecular Weight | 208.0922 g/mol |
| LogP | 3.3939 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0922 |
| Monoisotopic Mass | 208.0922 |
| Heavy Atoms | 14 |
| Complexity | 297.8478 |
Chemical Identifiers
| CAS Number | 37471-41-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=CC=CC=C1 |
Product Overview
3,3-Dimethyl-1-(phenylsulfanyl)butan-2-one (CAS 37471-41-3), with molecular formula C12H16OS and molecular weight 208.0922 g/mol. IUPAC: 3,3-dimethyl-1-phenylsulfanylbutan-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.
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