3-(4-Chlorophenyl)-1-phenyl-3-(phenylsulfanyl)propan-1-one
Basic information
- CAS
140140-03-0- Standard SMILES
O=C(CC(Sc1ccccc1)c1ccc(Cl)cc1)c1ccccc1- InChIKey
GOKZWHBNBHAWMA-UHFFFAOYSA-N- Molecular formula
- C21H17ClOS
- Average molar mass
- 352.9 g/mol
- Monoisotopic mass
- 352.068864
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-phenyl-3-(phenylsulfanyl)propan-1-one
- IUPAC
- 3-(4-chlorophenyl)-1-phenyl-3-phenylsulfanylpropan-1-one
Names & synonyms
140140-03-03-(4-Chlorophenyl)-1-phenyl-3-(phenylsulfanyl)propan-1-oneDTXSID00514213RefChem:274478DTXCID10465020
Database identifiers
- CAS
140140-03-0- PubChem CID
- 12969867
- DTXSID
DTXSID00514213- Nikkaji
- J1.833.161F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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