Basic information
- CAS
14229-63-1- Standard SMILES
CCC(SC)C(=O)c1ccccc1- InChIKey
DNTIOSKYOIIKGM-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-1-phenylbutan-1-one
- IUPAC
- 2-methylsulfanyl-1-phenylbutan-1-one
Names & synonyms
2-(Methylsulfanyl)-1-phenylbutan-1-one14229-63-1NSC298319DTXSID90315973NSC-298319EN300-394252
Database identifiers
- CAS
14229-63-1- PubChem CID
- 326643
- DTXSID
DTXSID90315973
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…