Basic information
- CAS
812681-26-8- Standard SMILES
CCCCCCCSc1ccc(C(=O)CC)cc1- InChIKey
XEYILKQZILMODA-UHFFFAOYSA-N- Molecular formula
- C16H24OS
- Average molar mass
- 264.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Heptylsulfanyl)phenyl]-1-propanone
- IUPAC
- 1-(4-heptylsulfanylphenyl)propan-1-one
- English name
- 1-[4-(Heptylsulfanyl)phenyl]-1-propanone
- Molecular formula
- C16H24OS
- Molecular weight
- 264.43
Names & synonyms
1-[4-(heptylsulfanyl)phenyl]-1-propanone812681-26-81-(4-(Heptylthio)phenyl)propan-1-one1-(4-heptylthiophenyl)propan-1-oneSBB1028291-(4-heptylsulfanylphenyl)propan-1-oneAN-651/432783111-[4-(Heptylthio)phenyl]-1-propanone
Database identifiers
- CAS
812681-26-8
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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