Basic information
- CAS
33631-98-0- Standard SMILES
Cc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1- InChIKey
JMCRBOGMGAKBRK-UHFFFAOYSA-N- Molecular formula
- C15H13ClOS
- Average molar mass
- 276.8 g/mol
- Monoisotopic mass
- 276.03756372
Names & identifiers
- Preferred name
- 2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanone
- IUPAC
- 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanone
Names & synonyms
2-(4-Chlorophenylthio)-1-(4-methylphenyl)ethanoneSCHEMBL6826443JMCRBOGMGAKBRK-UHFFFAOYSA-NDTXSID301221761AKOS00890785933631-98-02-[(4-Chlorophenyl)thio]-1-(4-methylphenyl)ethanone2-[(4-Chlorophenyl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
Database identifiers
- CAS
33631-98-0- PubChem CID
- 2745101
- DTXSID
DTXSID301221761
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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