Basic information
- CAS
7715-08-4- Standard SMILES
CC(C(=O)c1ccccc1)S(C)=O- InChIKey
QWWMSEDTVFDZDR-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- Propiophenone, 2-(methylsulfinyl)-
- IUPAC
- 2-methylsulfinyl-1-phenylpropan-1-one
Names & synonyms
Propiophenone, 2-(methylsulfinyl)-7715-08-42-(Methylsulfinyl)-1-phenyl-1-propanone1-Propanone, 2-(methylsulfinyl)-1-phenyl-DTXSID30998406AKOS0139647722-(Methanesulfinyl)-1-phenylpropan-1-one
Database identifiers
- CAS
7715-08-4- PubChem CID
- 3014580
- DTXSID
DTXSID30998406
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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