Chem
J-GLOBAL ID:200907006461989975   Nikkaji number:J94.647H

Iberin

イベリン
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: C5H9NOS2
Molecular formula furigana: C5-H9-N-O-S2
Molecular weight: 163.250
InChI: InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
InChI key: LELAOEBVZLPXAZ-UHFFFAOYSA-N
SMILES: CS(=O)CCCN=C=S
Systematic name  (6):
  • 1-イソチオシアナト-3-(メチルスルフィニル)プロパン
  • 1-イソチオシアナト-3-メチルスルフィニルプロパン
  • 3-(メチルスルフィニル)プロピルイソチオシアナート
  • メチル(3-イソチオシアナトプロピル)スルホキシド
  • 1-イソチオシアナト-3-メタンスルフィニルプロパン
Show all
Other name (4):
  • 3-(Methylsulfinyl)propyl isothiocyanate
  • イベリン
  • Iberin
  • Methyl(3-isothiocyanatopropyl) sulfoxide
CAS registry number: 505-44-2
Regulation number (1):
  • NX8950000
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