Chem
J-GLOBAL ID：200907012379978450   Nikkaji number：J1.245.102D

2-(Methylthio)-4-(3-oxo-4-isothiazoline-2-yl)benzonitrile

2-(メチルチオ)-4-(3-オキソ-4-イソチアゾリン-2-イル)ベンゾニトリル
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： C11H8N2OS2
Molecular formula furigana： C11-H8-N2-O-S2
Molecular weight： 248.320
InChI： InChI=1S/C11H8N2OS2/c1-15-10-6-9(3-2-8(10)7-12)13-11(14)4-5-16-13/h2-6H,1H3
InChI key： PLRIGMQWLYLNNL-UHFFFAOYSA-N
SMILES： CSc1cc(ccc1C#N)n1sccc1=O
Systematic name  (3)：
  • 2-(メチルチオ)-4-(3-オキソ-4-イソチアゾリン-2-イル)ベンゾニトリル
  • 2-(メチルスルファニル)-4-(3-オキソ-2,3-ジヒドロ-1,2-チアゾール-2-イル)ベンゾニトリル
  • 2-(methylsulfanyl)-4-(3-oxo-2,3-dihydro-1,2-thiazol-2-yl)benzonitrile
Other name (1)：
  • 2-(Methylthio)-4-(3-oxo-4-isothiazoline-2-yl)benzonitrile
Thsaurus map：
Thesaurus Map

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