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5-(Methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile
SpectraBase Compound ID LVsarOiup4E
InChI InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(13-15-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey QQMGQRGVBAXBBL-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C11H8N2S2
Exact Mass 232.012891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkeDaB255JT
Name 5-(Methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile
Alternate Name(s) 5-(methylthio)-3-phenyl-4-isothiazolecarbonitrile 5-(methylthio)-3-phenyl-isothiazole-4-carbonitrile 5-Methylsulfanyl-3-phenyl-1,2-thiazole-4-carbonitrile 5-Methylsulfanyl-3-phenyl-isothiazole-4-carbonitrile Isothiazole-4-carbonitrile, 5-methylthio-3-phenyl-
CAS Registry Number 90748-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2S2
InChI InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(13-15-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey QQMGQRGVBAXBBL-UHFFFAOYSA-N
Molecular Weight 232.319 g/mol
SMILES c1(c(nsc1SC)-c1ccccc1)C#N
SPLASH splash10-0fai-9620000000-89e6f8a0e8d94e60da96
Wiley ID 1458919