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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, ethyl ester
SpectraBase Compound ID 3aFav6JpP0i
InChI InChI=1S/C8H11NO2S3/c1-4-11-7(10)5-6(12-2)9-14-8(5)13-3/h4H2,1-3H3
InChIKey FFUFWYOQKZXYBD-UHFFFAOYSA-N
Mol Weight 249.36 g/mol
Molecular Formula C8H11NO2S3
Exact Mass 248.995192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t956J6YWhW
Name 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, ethyl ester
Alternate Name(s) Ethyl 3,5-bis(methylsulfanyl)-4-isothiazolecarboxylate 3,5-bis(methylthio)-4-isothiazolecarboxylic acid ethyl ester 3,5-bis(methylthio)isothiazole-4-carboxylic acid ethyl ester Ethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate Ethyl 3,5-bis(methylsulfanyl)isothiazole-4-carboxylate
CAS Registry Number 2273-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO2S3
InChI InChI=1S/C8H11NO2S3/c1-4-11-7(10)5-6(12-2)9-14-8(5)13-3/h4H2,1-3H3
InChIKey FFUFWYOQKZXYBD-UHFFFAOYSA-N
Molecular Weight 249.361 g/mol
SMILES CCOC(c1c(nsc1SC)SC)=O
SPLASH splash10-0udj-2390000000-f69d39cc856ca24640ed
Source of Spectrum O-7-476-4
Wiley ID 1251905