Basic information
- CAS
50366-58-0- Standard SMILES
CCCS(=O)(=O)CCC(=O)c1ccccc1- InChIKey
OMIZSKBMWVZVNS-UHFFFAOYSA-N- Molecular formula
- C12H16O3S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.08201554
Names & identifiers
- Preferred name
- 1-Phenyl-3-(propane-1-sulfonyl)propan-1-one
- IUPAC
- 1-phenyl-3-propylsulfonylpropan-1-one
Names & synonyms
50366-58-0NSC2808751-Phenyl-3-(propane-1-sulfonyl)propan-1-oneDTXSID80314152NSC-280875
Database identifiers
- CAS
50366-58-0- PubChem CID
- 322752
- DTXSID
DTXSID80314152
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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