3-(Benzylsulfanyl)-1,3-diphenylpropan-1-one
Basic information
- CAS
5452-33-5- Standard SMILES
O=C(CC(SCc1ccccc1)c1ccccc1)c1ccccc1- InChIKey
ZSWKQXBGCDLDBC-UHFFFAOYSA-N- Molecular formula
- C22H20OS
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.12348643
Names & identifiers
- Preferred name
- 3-(Benzylsulfanyl)-1,3-diphenylpropan-1-one
- IUPAC
- 3-benzylsulfanyl-1,3-diphenylpropan-1-one
Names & synonyms
5452-33-53-(benzylsulfanyl)-1,3-diphenylpropan-1-one3-benzylsulfanyl-1,3-diphenylpropan-1-oneNSC18960DTXSID70280872NSC-18960
Database identifiers
- CAS
5452-33-5- PubChem CID
- 227396
- DTXSID
DTXSID70280872- Nikkaji
- J2.149.903J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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