RefMet Compound Details

MW structure52277 (View MW Metabolite Database details)
RefMet nameMercaptoethanol
Systematic name2-sulfanylethanol
SMILESOCCS   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass78.013937 (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
FormulaC2H6OSView other entries in RefMet with this formula
InChIInChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChIKeyDGVVWUTYPXICAM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganosulfur compounds
Main ClassOrganosulfur compounds
Sub ClassAlkylthiols
Pubchem CID1567
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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