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Substance Name: Isopropyl isothiocyanate
RN: 2253-73-8
UNII: 46561PKP9T
InChIKey: VHBFEIBMZHEWSX-UHFFFAOYSA-N

Note

  • Isolated from Sisymbrium officinale.

Molecular Formula

  • C4-H7-N-S

Molecular Weight

  • 101.172
 
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Names and Synonyms

Name of Substance

  • Isopropyl isothiocyanate

Synonyms

  • EINECS 218-851-3
  • UNII-46561PKP9T

Systematic Name

  • Isopropyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 2253-73-8

FDA UNII

  • 46561PKP9T

System Generated Number

  • 0002253738

Structure Descriptors

InChI

1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3

InChIKey

VHBFEIBMZHEWSX-UHFFFAOYSA-N

Smiles

C(=S)=NC(C)C