4-Methylthio-3-butenyl isothiocyanate

CAS Registry Number®

51598-96-0

CAS Name

4-Methylthio-3-butenyl isothiocyanate

Molecular Formula

C6H9NS2

Molecular Mass

159.27

Cite this Page

4-Methylthio-3-butenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51598-96-0 (retrieved 2025-08-23) (CAS RN: 51598-96-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3

InChIKey

InChIKey=RYSPJKHYSHFYEB-UHFFFAOYSA-N

SMILES

C(C=CSC)CN=C=S

Canonical SMILES

S=C=NCCC=CSC

Other Names for this Substance

  • 1-Butene, 4-isothiocyanato-1-(methylthio)-
  • Isothiocyanic acid, 4-(methylthio)-3-butenyl ester
  • 4-Isothiocyanato-1-(methylthio)-1-butene
  • 4-Methylthio-3-butenyl isothiocyanate
  • Dehydroerucin

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CAS INSIGHTSTM
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