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4-Isothiazolecarbonitrile, 3-(methylthio)-5-(propylthio)-
SpectraBase Compound ID LmzyhFLovKJ
InChI InChI=1S/C8H10N2S3/c1-3-4-12-8-6(5-9)7(11-2)10-13-8/h3-4H2,1-2H3
InChIKey XQOPRFISYFTQQB-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 EnunytZMqpw
Name 4-Isothiazolecarbonitrile, 3-(methylthio)-5-(propylthio)-
CAS Registry Number 37572-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2S3
InChI InChI=1S/C8H10N2S3/c1-3-4-12-8-6(5-9)7(11-2)10-13-8/h3-4H2,1-2H3
InChIKey XQOPRFISYFTQQB-UHFFFAOYSA-N
Molecular Weight 230.362 g/mol
SMILES CCCSc1c(C#N)c(ns1)SC
SPLASH splash10-001r-5970000000-670e8a63b9d6f044d801
Source of Spectrum O-7-473-2
Synonyms 3-(Methylsulfanyl)-5-(propylsulfanyl)-4-isothiazolecarbonitrile 3-(methylthio)-5-(propylthio)-4-isothiazolecarbonitrile 3-(methylthio)-5-(propylthio)isothiazole-4-carbonitrile 3-Methylsulfanyl-5-propylsulfanyl-1,2-thiazole-4-carbonitrile 3-Methylsulfanyl-5-propylsulfanyl-isothiazole-4-carbonitrile
Wiley ID 1231161