Basic information
- CAS
77657-95-5- Standard SMILES
CC(=O)CCS(=O)c1ccccc1- InChIKey
HNNOPQGAVNGTQE-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- 4-(Phenylsulfinyl)butan-2-one
- IUPAC
- 4-(benzenesulfinyl)butan-2-one
Names & synonyms
77657-95-54-(phenylsulfinyl)butan-2-one4-(benzenesulfinyl)butan-2-oneNSC45651SCHEMBL6916923DTXSID70286415NSC-45651AKOS013964005
Database identifiers
- CAS
77657-95-5- PubChem CID
- 239873
- DTXSID
DTXSID70286415
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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