1-(Methylsulfanyl)-1-phenylpropan-2-one
Basic information
- CAS
53475-18-6- Standard SMILES
CSC(C(C)=O)c1ccccc1- InChIKey
KUMOLBPEBPTWQC-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- 1-(Methylsulfanyl)-1-phenylpropan-2-one
- IUPAC
- 1-methylsulfanyl-1-phenylpropan-2-one
Names & synonyms
1-(Methylsulfanyl)-1-phenylpropan-2-one53475-18-6DTXSID30315972RefChem:226804DTXCID00267095NSC298318NSC-298318
Database identifiers
- CAS
53475-18-6- PubChem CID
- 326642
- DTXSID
DTXSID30315972
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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