Basic information
- CAS
2891-96-5- Standard SMILES
CS(=O)CC(=O)c1ccco1- InChIKey
MBEAPRDDKXQFSA-UHFFFAOYSA-N- Molecular formula
- C7H8O3S
- Average molar mass
- 172.2 g/mol
- Monoisotopic mass
- 172.01941512
Names & identifiers
- Preferred name
- Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-
- IUPAC
- 1-(furan-2-yl)-2-methylsulfinylethanone
Names & synonyms
2891-96-5Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-RefChem:1084518BRN 12391181-(2-Furanyl)-2-(methylsulfinyl)ethanoneomega-Methylsulfinyl-alpha-acetylfuranomega-Metilsulfinil alpha-acetofurano [Spanish]omega-Metilsulfinil alpha-acetofurano5-18-01-00126 (Beilstein Handbook Reference)SCHEMBL10349854DTXSID40951542MBEAPRDDKXQFSA-UHFFFAOYSA-N
Show more names
AKOS013965593Methyl 2-(2-Furyl)-2-oxoethyl Sulfoxide1-(Furan-2-yl)-2-(methanesulfinyl)ethan-1-one
Database identifiers
- CAS
2891-96-5- PubChem CID
- 200873
- DTXSID
DTXSID40951542- Nikkaji
- J817.363J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Related reactions
3 records
Compound notes
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