RefMet Compound Details

RefMet IDRM0021599
MW structure55890 (View MW Metabolite Database details)
RefMet nameMethiocarb
Systematic name3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate
SMILESCc1cc(cc(C)c1SC)OC(=O)NC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass225.082351 (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
FormulaC11H15NO2SView other entries in RefMet with this formula
InChIInChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChIKeyYFBPRJGDJKVWAH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassOther benzenes
Pubchem CID16248
ChEBI ID38508
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo