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4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-
SpectraBase Compound ID LqZc6LOFBQG
InChI InChI=1S/C5H3ClN2S2/c1-9-5-3(2-7)4(6)10-8-5/h1H3
InChIKey QCEAOTTUBMXSIS-UHFFFAOYSA-N
Mol Weight 190.67 g/mol
Molecular Formula C5H3ClN2S2
Exact Mass 189.942618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vITFv9dfzt
Name 4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-
CAS Registry Number 54798-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H3ClN2S2
InChI InChI=1S/C5H3ClN2S2/c1-9-5-3(2-7)4(6)10-8-5/h1H3
InChIKey QCEAOTTUBMXSIS-UHFFFAOYSA-N
Molecular Weight 190.666 g/mol
SMILES CSc1c(C#N)c(sn1)Cl
SPLASH splash10-052f-3900000000-18fb2a18d5cb0d552b94
Source of Spectrum AD-0-3481-0
Synonyms 5-Chloro-3-(methylsulfanyl)-4-isothiazolecarbonitrile 5-Chloranyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile 5-Chloro-3-(methylthio)-4-isothiazolecarbonitrile 5-Chloro-3-(methylthio)isothiazole-4-carbonitrile 5-Chloro-3-methylsulfanyl-1,2-thiazole-4-carbonitrile 5-Chloro-3-methylsulfanyl-isothiazole-4-carbonitrile
Wiley ID 20569