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Substance Name: Hexyl isothiocyanate
RN: 4404-45-9
UNII: 2S7C3GA0Z5
InChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-N

Molecular Formula

  • C7-H13-N-S

Molecular Weight

  • 143.2527
 
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Names and Synonyms

Name of Substance

  • Hexyl isothiocyanate

Synonyms

  • 1-Hexyl isothiocyanate
  • 1-Isothiocyanatohexane
  • CCRIS 7549
  • EINECS 224-549-2
  • UNII-2S7C3GA0Z5

Systematic Names

  • 1-Hexyl isothiocyanate
  • Hexane, 1-isothiocyanato-

Registry Numbers

CAS Registry Number

  • 4404-45-9

FDA UNII

  • 2S7C3GA0Z5

System Generated Number

  • 0004404459

Structure Descriptors

InChI

1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

InChIKey

WXYAXKKXIGHXDS-UHFFFAOYSA-N

Smiles

C(CCCCC)N=C=S