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4-Isothiazolecarbonitrile, 5-(methylthio)-3-(propylthio)-
SpectraBase Compound ID JyRwrPh48ho
InChI InChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3
InChIKey LGKPRMWLZJJIDT-UHFFFAOYSA-N
Mol Weight 230.36 g/mol
Molecular Formula C8H10N2S3
Exact Mass 230.000612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je5uO0epOdo
Name 4-Isothiazolecarbonitrile, 5-(methylthio)-3-(propylthio)-
CAS Registry Number 37572-30-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2S3
InChI InChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3
InChIKey LGKPRMWLZJJIDT-UHFFFAOYSA-N
Molecular Weight 230.362 g/mol
SMILES CCCSc1c(C#N)c(sn1)SC
SPLASH splash10-000i-4930000000-6ed5d0ed56a4c34e361b
Source of Spectrum O-7-473-2
Synonyms 5-(Methylsulfanyl)-3-(propylsulfanyl)-4-isothiazolecarbonitrile 5-(methylthio)-3-(propylthio)-4-isothiazolecarbonitrile 5-(methylthio)-3-(propylthio)isothiazole-4-carbonitrile 5-Methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile 5-Methylsulfanyl-3-propylsulfanyl-isothiazole-4-carbonitrile
Wiley ID 1231160