Chem
J-GLOBAL ID:200907050030022200   Nikkaji number:J973.872J

5-Methyl-2-[2-[4-(dimethylamino)phenyl]vinyl]-3-(3-sulfonatopropyl)benzothiazole-3-ium

5-メチル-2-[2-[4-(ジメチルアミノ)フェニル]ビニル]-3-(3-スルホナトプロピル)ベンゾチアゾール-3-イウム
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: C21H24N[N+]O2[O-]S2
Molecular formula furigana: C21-H24-N2-O3-S2
Molecular weight: 416.550
InChI: InChI=1S/C21H24N2O3S2/c1-16-5-11-20-19(15-16)23(13-4-14-28(24,25)26)21(27-20)12-8-17-6-9-18(10-7-17)22(2)3/h5-12,15H,4,13-14H2,1-3H3
InChI key: DGXGEHOKQVBVRG-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=Cc2sc3ccc(C)cc3[n+]2CCCS(=O)(=O)[O-])cc1
Systematic name  (3):
  • 5-メチル-2-[2-[4-(ジメチルアミノ)フェニル]ビニル]-3-(3-スルホナトプロピル)ベンゾチアゾール-3-イウム
  • 2-{2-[4-(ジメチルアミノ)フェニル]エテニル}-5-メチル-3-(3-スルホナトプロピル)-1,3-ベンゾチアゾール-3-イウム
  • 2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
Other name (1):
  • 5-Methyl-2-[2-[4-(dimethylamino)phenyl]vinyl]-3-(3-sulfonatopropyl)benzothiazole-3-ium
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