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3-Hydroxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile
SpectraBase Compound ID HxfBhEcRHk1
InChI InChI=1S/C5H4N2OS2/c1-9-5-3(2-6)4(8)7-10-5/h1H3,(H,7,8)
InChIKey DMKPBSKKJZGMPL-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C5H4N2OS2
Exact Mass 171.976505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tZmpXIxU62
Name 3-Hydroxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile
Alternate Name(s) 3-Hydroxy-5-methylsulfanyl-isothiazole-4-carbonitrile 3-keto-5-(methylthio)-4-isothiazoline-4-carbonitrile 5-(methylthio)-3-oxo-4-isothiazolecarbonitrile 5-Methylsulfanyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile 5-Methylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile 5-Methylsulfanyl-3-oxo-isothiazole-4-carbonitrile
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Formula C5H4N2OS2
InChI InChI=1S/C5H4N2OS2/c1-9-5-3(2-6)4(8)7-10-5/h1H3,(H,7,8)
InChIKey DMKPBSKKJZGMPL-UHFFFAOYSA-N
Molecular Weight 172.220 g/mol
SMILES Oc1nsc(c1C#N)SC
SPLASH splash10-006t-9300000000-16fe761ecc25ce5eca6c
Wiley ID 1511933