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2-mercapto-6-benzothiazolecarboxylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

2-mercapto-6-benzothiazolecarboxylic acid
SpectraBase Compound ID Guuc6SMqFTI
InChI InChI=1S/C8H5NO2S2/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChIKey GJZGGNOKWQKDIY-UHFFFAOYSA-N
Mol Weight 211.25 g/mol
Molecular Formula C8H5NO2S2
Exact Mass 210.976171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Az5KTVXpHd4
Name 2-Sulfanyl-1,3-benzothiazole-6-carboxylic acid
Alternate Name(s) 2-Mercapto-benzothiazole-6-carboxylic acid 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid 2-Thioxo-3H-1,3-benzothiazole-6-carboxylic acid
CAS Registry Number 84092-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2S2
InChI InChI=1S/C8H5NO2S2/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChIKey GJZGGNOKWQKDIY-UHFFFAOYSA-N
Molecular Weight 211.253 g/mol
SMILES OC(c1ccc2nc(sc2c1)S)=O
SPLASH splash10-03di-9540000000-bc45a44fad2af697f5d3
Wiley ID 1458914