input word = C00050711

Metabolite InformationStructural formula
Name 3-Methylsulfinyl propyl isothiocyanate
(S)-3-(Methylsulfinyl)propyl isothiocyanate
Formula C5H9NOS2
Mw 163.01255538
CAS RN 84104-27-8
C_ID C00050711
InChIKey LELAOEBVZLPXAZ-UHFFFAOYNA-N
InChICode InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3/t9-/m0/s1
SMILES CS(=O)CCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea var.capitata Ref.
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