1-[4-(Heptylsulfanyl)phenyl]ethanone
Basic information
- CAS
812681-15-5- Standard SMILES
CCCCCCCSc1ccc(C(C)=O)cc1- InChIKey
AGULOHDXKTUBDY-UHFFFAOYSA-N- Molecular formula
- C15H22OS
- Average molar mass
- 250.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Heptylsulfanyl)phenyl]ethanone
- IUPAC
- 1-(4-heptylsulfanylphenyl)ethanone
- English name
- 1-[4-(Heptylsulfanyl)phenyl]ethanone
- Molecular formula
- C15H22OS
- Molecular weight
- 250.4
Names & synonyms
1-[4-(heptylsulfanyl)phenyl]ethanone812681-15-51-(4-(Heptylthio)phenyl)ethan-1-one1-[4-(heptylsulfanyl)phenyl]ethan-1-one1-acetyl-4-heptylthiobenzene1-(4-heptylsulfanylphenyl)ethanoneSBB100795AKOS013703221AN-651/432783091-[4-(Heptylthio)phenyl]ethanone
Database identifiers
- CAS
812681-15-5
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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