input word = C00057393

Metabolite InformationStructural formula
Name 2-(Methylthio)ethyl isothiocyanate
Formula C4H7NS2
Mw 133.00199069
CAS RN 4430-37-9
C_ID C00057393
InChIKey NRORKJAOHOBIMQ-UHFFFAOYSA-N
InChICode InChI=1S/C4H7NS2/c1-7-3-2-5-4-6/h2-3H2,1H3
SMILES CSCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
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OrganismArmoracia lapathifolia
ReferenceKjaer, A. et al., Acta Chem. Scand., 1957, 11, 1298

1963, 17, 2143 (synth, ms)