RefMet Compound Details

MW structure38684 (View MW Metabolite Database details)
RefMet nameDimethyl sulfone
Systematic namemethanesulfonylmethane
SMILESCS(=O)(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass94.008852 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC2H6O2SView other entries in RefMet with this formula
InChIKeyHHVIBTZHLRERCL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganosulfur compounds
Main ClassOrganosulfur compounds
Sub ClassSulfones
Pubchem CID6213
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)