Chem
J-GLOBAL ID:200907012763946310   Nikkaji number:J2.040.167B

2,6-Difluoro-4-[[4-(butylthio)phenyl]ethynyl]phenyl isothiocyanate

2,6-ジフルオロ-4-[[4-(ブチルチオ)フェニル]エチニル]フェ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: C19H15F2NS2
Molecular formula furigana: C19-H15-F2-N-S2
Molecular weight: 359.450
InChI: InChI=1S/C19H15F2NS2/c1-2-3-10-24-16-8-6-14(7-9-16)4-5-15-11-17(20)19(22-13-23)18(21)12-15/h6-9,11-12H,2-3,10H2,1H3
InChI key: HNRDRKQOGACRDQ-UHFFFAOYSA-N
SMILES: CCCCSc1ccc(cc1)C#Cc1cc(F)c(N=C=S)c(F)c1
Systematic name  (3):
  • 2,6-ジフルオロ-4-[[4-(ブチルチオ)フェニル]エチニル]フェニルイソチオシアナート
  • 5-{2-[4-(ブチルスルファニル)フェニル]エチニル}-1,3-ジフルオロ-2-イソチオシアナトベンゼン
  • 5-{2-[4-(butylsulfanyl)phenyl]ethynyl}-1,3-difluoro-2-isothiocyanatobenzene
Other name (1):
  • 2,6-Difluoro-4-[[4-(butylthio)phenyl]ethynyl]phenyl isothiocyanate
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