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3-Methoxy-5-methylsulfanyl-isothiazole-4-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Methoxy-5-methylsulfanyl-isothiazole-4-carbonitrile
SpectraBase Compound ID 49UDv2wCo5H
InChI InChI=1S/C6H6N2OS2/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChIKey FWSPVOKUDXXEFQ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C6H6N2OS2
Exact Mass 185.992155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1t2iPUed6V
Name 3-Methoxy-5-methylsulfanyl-isothiazole-4-carbonitrile
Alternate Name(s) 3-Methoxy-5-(methylthio)-4-isothiazolecarbonitrile 3-Methoxy-5-(methylthio)isothiazole-4-carbonitrile 3-Methoxy-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
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Formula C6H6N2OS2
InChI InChI=1S/C6H6N2OS2/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChIKey FWSPVOKUDXXEFQ-UHFFFAOYSA-N
Molecular Weight 186.247 g/mol
SMILES c1(c(snc1OC)SC)C#N
SPLASH splash10-052s-9800000000-21bde5cc2e3a8eeffd31
Wiley ID 1450761