Chem
J-GLOBAL ID:200907035578959341   Nikkaji number:J41.504I

Phenethyl isothiocyanate

フェネチルイソチオシアナート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C9H9NS
Molecular formula furigana: C9-H9-N-S
Molecular weight: 163.240
InChI: InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI key: IZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILES: S=C=NCCc1ccccc1
Systematic name  (6):
  • (2-フェニルエチル)イソチオシアナート
  • フェネチルイソチオシアナート
  • 2-フェニルエチルイソチオシアナート
  • β-フェニルエチルイソチオシアナート
  • (2-イソチオシアナトエチル)ベンゼン
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Other name (8):
  • フェニルエチルマスタードオイル
  • Phenylethyl mustard oil
  • 2-Phenylethyl isothiocyanate
  • イソチオシアン酸フェネチル
  • Phenethyl isothiocyanate
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CAS registry number: 2257-09-2
Regulation number (3):
  • NX9115000
  • EINECS2188555
  • TSCA(2257-09-2)
Application (1):
carcinogen
Thsaurus map:

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