Chem
J-GLOBAL ID：200907055405065320   Nikkaji number：J45.898H

3-Butenyl isothiocyanate

3-ブテニ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： C5H7NS
Molecular formula furigana： C5-H7-N-S
Molecular weight： 113.180
InChI： InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
InChI key： SKIHGKNFJKJXPX-UHFFFAOYSA-N
SMILES： C=CCCN=C=S
Systematic name  (4)：
  • 3-ブテニルイソチオシアナート
  • 4-イソチオシアナト-1-ブテン
  • 4-イソチオシアナトブタ-1-エン
  • 4-isothiocyanatobut-1-ene
Other name (3)：
  • 3-Butenyl isothiocyanate
  • イソチオシアン酸=3-ブテニル
  • 4-Isothiocyanato-1-butene
CAS registry number： 3386-97-8
Regulation number (2)：
  • EINECS2222098
  • 2-(7)-295
Thsaurus map：
Thesaurus Map

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