Chem
J-GLOBAL ID：200907003311788050   Nikkaji number：J385.661E

7-Methylsulfinylheptyl isothiocyanate

7-メチルスルフィニルヘプ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： C9H17NOS2
Molecular formula furigana： C9-H17-N-O-S2
Molecular weight： 219.360
InChI： InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3
InChI key： OGYHCBGORZWBPH-UHFFFAOYSA-N
SMILES： CS(=O)CCCCCCCN=C=S
Systematic name  (3)：
  • 7-メチルスルフィニルヘプチルイソチオシアナート
  • [7-(メチルスルフィニル)ヘプチル]イソチオシアナート
  • 7-(メチルスルフィニル)ヘプチルイソチオシアナート
Other name (3)：
  • 7-Methylsulfinylheptyl isothiocyanate
  • [7-(Methylsulfinyl)heptyl] isothiocyanate
  • 7-(Methylsulfinyl)heptyl isothiocyanate
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