Ethanone, 1-(2-furanyl)-2-(methylsulfinyl)-

HCID 200873

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

Related reactions

3 records

Compound notes

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