Basic information
- Standard SMILES
CC(=O)CS(C)=O- InChIKey
WZELJSMUEOMESA-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.17 g/mol
- Monoisotopic mass
- 120.02450067
Names & identifiers
- Preferred name
- 1-Methylsulfinyl-2-propanone
- IUPAC
- 1-methylsulfinylpropan-2-one
Names & synonyms
1-methylsulfinyl-2-propanone31383-34-3SCHEMBL454918WZELJSMUEOMESA-UHFFFAOYSA-NAKOS0135698232-PROPANONE, 1-(METHYLSULFINYL)-DB-270823
Database identifiers
- PubChem CID
- 12563373
- Nikkaji
- J1.179.015A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97
Related reactions
2 records
Compound notes
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