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5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione

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5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
SpectraBase Compound ID Dfrm9l3OSHl
InChI InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)
InChIKey JRFUIXXCQSIOEB-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C8H6N2S3
Exact Mass 225.969312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s9NyAS28wD
Name 5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
CAS Registry Number 17654-88-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6N2S3
InChI InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)
InChIKey JRFUIXXCQSIOEB-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference U. Anthoni, B. Mynster Dahl, H. Eggert, Acta Chem. Scand. B30, 71 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3