Chem
J-GLOBAL ID:200907050344033029   Nikkaji number:J1.026.300J

[1-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)ethyl] isocyanate

[1-(3,3,4,4,5,5,6,6,6-ノナフルオロヘキシルチオ)エチル]イソシアナート
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: C9H8F9NOS
Molecular formula furigana: C9-H8-F9-N-O-S
Molecular weight: 349.210
InChI: InChI=1S/C9H8F9NOS/c1-5(19-4-20)21-3-2-6(10,11)7(12,13)8(14,15)9(16,17)18/h5H,2-3H2,1H3
InChI key: YXQBUGQCBMYLEF-UHFFFAOYSA-N
SMILES: CC(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N=C=O
Systematic name  (3):
  • [1-(3,3,4,4,5,5,6,6,6-ノナフルオロヘキシルチオ)エチル]イソシアナート
  • 1,1,1,2,2,3,3,4,4-ノナフルオロ-6-[(1-イソシアナトエチル)スルファニル]ヘキサン
  • 1,1,1,2,2,3,3,4,4-nonafluoro-6-[(1-isocyanatoethyl)sulfanyl]hexane
Other name (1):
  • [1-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)ethyl] isocyanate
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