Chem
J-GLOBAL ID：200907062716682345   Nikkaji number：J231.826A

3-Methyl-2-(methylthio)benzothiazol-3-ium

2-(メチルチオ)-3-メチ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： C9H10[N+]S2
Molecular formula furigana： C9-H10-N-S2
Molecular weight： 196.310
InChI： InChI=1S/C9H10NS2/c1-10-7-5-3-4-6-8(7)12-9(10)11-2/h3-6H,1-2H3/q+1
InChI key： IKGZOUOHCCARCC-UHFFFAOYSA-N
SMILES： CSc1sc2ccccc2[n+]1C
Systematic name  (5)：
  • 3-メチル-2-(メチルチオ)ベンゾチアゾール-3-イウム
  • 2-(メチルチオ)-3-メチルベンゾチアゾール-3-イウム
  • 2-(メチルチオ)-3-メチル-3-アゾニアベンゾチアゾール
  • 3-メチル-2-(メチルスルファニル)-1,3-ベンゾチアゾール-3-イウム
  • 3-methyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium
Other name (3)：
  • 3-Methyl-2-(methylthio)benzothiazol-3-ium
  • 2-(Methylthio)-3-methylbenzothiazole-3-ium
  • 2-(Methylthio)-3-methyl-3-azoniabenzothiazole
CAS registry number： 46045-65-2
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