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Benzothiazole-2-thiol

View entire compound with spectra: 18 NMR, 11 FTIR, 1 Raman, and 17 MS (GC)

Benzothiazole-2-thiol
SpectraBase Compound ID 3Bpc1YCaLMM
InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
Mol Weight 167.24 g/mol
Molecular Formula C7H5NS2
Exact Mass 166.986342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyeDI9dcsI0
Name Benzothiazole-2-thiol
CAS Registry Number 149-30-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H5NS2
InChI InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.R. Bartels-Keith, M.T. Burgess, J. Org. Chem. 42, 3725 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6