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4-Isothiazolecarbonitrile, 5-(ethylthio)-3-hydroxy-

View entire compound with spectra: 1 MS (GC)

4-Isothiazolecarbonitrile, 5-(ethylthio)-3-hydroxy-
SpectraBase Compound ID vtirwSbpqs
InChI InChI=1S/C6H6N2OS2/c1-2-10-6-4(3-7)5(9)8-11-6/h2H2,1H3,(H,8,9)
InChIKey PYCCMAOBHHCYPX-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 G1sg2iCCT2c
Name 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-hydroxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2OS2
InChI InChI=1S/C6H6N2OS2/c1-2-10-6-4(3-7)5(9)8-11-6/h2H2,1H3,(H,8,9)
InChIKey PYCCMAOBHHCYPX-UHFFFAOYSA-N
Molecular Weight 186.247 g/mol
SMILES Oc1nsc(c1C#N)SCC
SPLASH splash10-001i-9300000000-2d862540b87308c846fe
Source of Spectrum IY-1-4559-2
Synonyms 5-(ethylthio)-3-oxo-4-isothiazolecarbonitrile 5-Ethylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile 5-Ethylsulfanyl-3-oxo-isothiazole-4-carbonitrile 5-Ethylsulfanyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile
Wiley ID 1653575