4-(3,4-Dichlorophenyl)-4-(ethylsulfanyl)butan-2-one
Basic information
- CAS
77921-31-4- Standard SMILES
CCSC(CC(C)=O)c1ccc(Cl)c(Cl)c1- InChIKey
DMHRMJNMIFTUTB-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2OS
- Average molar mass
- 277.2 g/mol
- Monoisotopic mass
- 276.0142416
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenyl)-4-(ethylsulfanyl)butan-2-one
- IUPAC
- 4-(3,4-dichlorophenyl)-4-ethylsulfanylbutan-2-one
Names & synonyms
77921-31-4NSC3114404-(3,4-Dichlorophenyl)-4-(ethylsulfanyl)butan-2-oneDTXSID80317128NSC-311440DS-0144844-(3,4-dichlorophenyl)-4-ethylsulfanyl-butan-2-one
Database identifiers
- CAS
77921-31-4- PubChem CID
- 329347
- DTXSID
DTXSID80317128
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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