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4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-
SpectraBase Compound ID I53w1CT4phk
InChI InChI=1S/C7H8N2S3/c1-3-11-7-5(4-8)6(10-2)9-12-7/h3H2,1-2H3
InChIKey LXUFGBXJPNBLKG-UHFFFAOYSA-N
Mol Weight 216.33 g/mol
Molecular Formula C7H8N2S3
Exact Mass 215.984962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u7N88oWScv
Name 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-
CAS Registry Number 25882-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2S3
InChI InChI=1S/C7H8N2S3/c1-3-11-7-5(4-8)6(10-2)9-12-7/h3H2,1-2H3
InChIKey LXUFGBXJPNBLKG-UHFFFAOYSA-N
Molecular Weight 216.335 g/mol
SMILES CCSc1c(C#N)c(ns1)SC
SPLASH splash10-014i-5960000000-e5acf2e49313368c3032
Source of Spectrum AD-0-3482-0
Synonyms 5-(Ethylsulfanyl)-3-(methylsulfanyl)-4-isothiazolecarbonitrile 5-(ethylthio)-3-(methylthio)-4-isothiazolecarbonitrile 5-(ethylthio)-3-(methylthio)isothiazole-4-carbonitrile 5-Ethylsulfanyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile 5-Ethylsulfanyl-3-methylsulfanyl-isothiazole-4-carbonitrile
Wiley ID 27259