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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-
SpectraBase Compound ID GideVHY0pYs
InChI InChI=1S/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChIKey IQFPLSISGDGBMJ-UHFFFAOYSA-N
Mol Weight 221.31 g/mol
Molecular Formula C6H7NO2S3
Exact Mass 220.963892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RBTuE2fS2z
Name 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-
Alternate Name(s) 3,5-Bis(methylsulfanyl)-4-isothiazolecarboxylic acid 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid 3,5-bis(methylsulfanyl)isothiazole-4-carboxylic acid 3,5-bis(methylthio)-4-isothiazolecarboxylic acid 3,5-bis(methylthio)isothiazole-4-carboxylic acid Isothiazole-4-carboxylic acid, 3,5-di(methylthio)-
CAS Registry Number 4886-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7NO2S3
InChI InChI=1S/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChIKey IQFPLSISGDGBMJ-UHFFFAOYSA-N
Molecular Weight 221.307 g/mol
SMILES OC(c1c(snc1SC)SC)=O
SPLASH splash10-0002-9320000000-78d28402ceed32521161
Wiley ID 1455415