Basic information
- CAS
30168-33-3- Standard SMILES
O=C(CSc1ccc(Cl)cc1)c1ccccc1- InChIKey
KVOQYEBYGPHYNS-UHFFFAOYSA-N- Molecular formula
- C14H11ClOS
- Average molar mass
- 262.8 g/mol
- Monoisotopic mass
- 262.0219138
Names & identifiers
- Preferred name
- 2-((4-Chlorophenyl)thio)-1-phenylethanone
- IUPAC
- 2-(4-chlorophenyl)sulfanyl-1-phenylethanone
Names & synonyms
30168-33-32-[(4-chlorophenyl)thio]-1-phenylethanone2-((4-chlorophenyl)thio)-1-phenylethanoneRefChem:249381ethanone, 2-[(4-chlorophenyl)thio]-1-phenyl-2-[(4-chlorophenyl)sulfanyl]-1-phenylethan-1-one2-(4-chlorophenyl)sulfanyl-1-phenylethanoneNSC35979SCHEMBL657544CHEMBL238668DTXSID10284157KVOQYEBYGPHYNS-UHFFFAOYSA-N
Show more names
2-Acetyl-4'-chlorodiphenyl sulfide4-Chloro-2-(phenylthio)acetophenoneNSC 35979NSC-35979AKOS0083500042-(4-chlorophenylthio)-1-phenylethanone
Database identifiers
- CAS
30168-33-3- PubChem CID
- 235035
- DTXSID
DTXSID10284157- ChEMBL
CHEMBL238668- Nikkaji
- J3.515.204K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Related reactions
3 records
Compound notes
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