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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, methyl ester
SpectraBase Compound ID DXfxoopQ177
InChI InChI=1S/C7H9NO2S3/c1-10-6(9)4-5(11-2)8-13-7(4)12-3/h1-3H3
InChIKey IIDKDJPZCINBEA-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C7H9NO2S3
Exact Mass 234.979542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0oNrtIO8hs
Name 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, methyl ester
Alternate Name(s) Methyl 3,5-bis(methylsulfanyl)-4-isothiazolecarboxylate 3,5-bis(methylthio)-4-isothiazolecarboxylic acid methyl ester 3,5-bis(methylthio)isothiazole-4-carboxylic acid methyl ester Methyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate Methyl 3,5-bis(methylsulfanyl)isothiazole-4-carboxylate
CAS Registry Number 2272-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO2S3
InChI InChI=1S/C7H9NO2S3/c1-10-6(9)4-5(11-2)8-13-7(4)12-3/h1-3H3
InChIKey IIDKDJPZCINBEA-UHFFFAOYSA-N
Molecular Weight 235.334 g/mol
SMILES COC(c1c(nsc1SC)SC)=O
SPLASH splash10-0f7a-8590000000-063ea068445da4bc513e
Source of Spectrum O-7-475-4
Wiley ID 1236815