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Substance Name: 6-(Methylthio)hexyl isothiocyanate
RN: 4430-39-1
UNII: 63844HOL2H
InChIKey: YIBXPFAXPUDDTK-UHFFFAOYSA-N

Note

  • Isolated from Wasabia japonica (wasabi).

Molecular Formula

  • C8-H15-N-S2

Molecular Weight

  • 189.346
 
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Names and Synonyms

Name of Substance

  • 6-(Methylthio)hexyl isothiocyanate

Synonyms

  • 1-Isothiocyanato-6-(methylthio)hexane
  • CCRIS 8466
  • UNII-63844HOL2H

Systematic Name

  • Hexane, 1-isothiocyanato-6-(methylthio)-

Registry Numbers

CAS Registry Number

  • 4430-39-1

FDA UNII

  • 63844HOL2H

System Generated Number

  • 0004430391

Structure Descriptors

InChI

1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3

InChIKey

YIBXPFAXPUDDTK-UHFFFAOYSA-N

Smiles

C(CCCCCSC)N=C=S