Basic information
- Standard SMILES
CCC(C)C(=O)c1ccc(SC)cc1- InChIKey
DDDHAOBPBMDNLV-UHFFFAOYSA-N- Molecular formula
- C12H16OS
- Average molar mass
- 208.32 g/mol
- Monoisotopic mass
- 208.0921863
Names & identifiers
- Preferred name
- 2-Methyl-1-[4-(methylthio)phenyl]-1-butanone
- IUPAC
- 2-methyl-1-(4-methylsulfanylphenyl)butan-1-one
Names & synonyms
SCHEMBL7884174DDDHAOBPBMDNLV-UHFFFAOYSA-N2-methyl-1-[4-(methylthio)phenyl]-1-butanone(RS) -1-(4-Methylthiophenyl)-2-methyl-1-butanone(RS)-1-(4-Methylthiophenyl)-2-methyl-1-butanone
Database identifiers
- PubChem CID
- 15480643
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
6 records
Compound notes
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