Basic information
- CAS
22956-36-1- Standard SMILES
O=C(CCSc1ccccc1)c1ccccc1- InChIKey
QZKLFDOVQDWYLH-UHFFFAOYSA-N- Molecular formula
- C15H14OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07653624
Names & identifiers
- Preferred name
- 1-Phenyl-3-(phenylsulfanyl)propan-1-one
- IUPAC
- 1-phenyl-3-phenylsulfanylpropan-1-one
Names & synonyms
22956-36-11-Phenyl-3-(phenylsulfanyl)propan-1-oneDTXSID50494970RefChem:233143DTXCID504457801-phenyl-3-phenylsulfanylpropan-1-one1-phenyl-3-(phenylthio)propan-1-oneSCHEMBL91082211-phenyl-3-(phenylsulfanyl)-1-propanone
Database identifiers
- CAS
22956-36-1- PubChem CID
- 12373749
- DTXSID
DTXSID50494970- Nikkaji
- J3.169.622D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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