3-(Benzylsulfanyl)-1-phenylpropan-1-one
Basic information
- CAS
87250-53-1- Standard SMILES
O=C(CCSCc1ccccc1)c1ccccc1- InChIKey
PINJUUIKHUGEQR-UHFFFAOYSA-N- Molecular formula
- C16H16OS
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.0921863
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-1-phenylpropan-1-one
- IUPAC
- 3-benzylsulfanyl-1-phenylpropan-1-one
Names & synonyms
87250-53-13-(Benzylsulfanyl)-1-phenylpropan-1-oneDTXSID80530996
Database identifiers
- CAS
87250-53-1- PubChem CID
- 13237652
- DTXSID
DTXSID80530996
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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