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4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID E0TSuLxZ1d0
InChI InChI=1S/C13H8BrClN4S2/c14-11-5-4-10(21-11)7-16-19-12(17-18-13(19)20)8-2-1-3-9(15)6-8/h1-7H,(H,18,20)/b16-7+
InChIKey DDIHLPYISFYKNE-FRKPEAEDSA-N
Mol Weight 399.71 g/mol
Molecular Formula C13H8BrClN4S2
Exact Mass 397.906229 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhcpavvwGCB
Name 4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H8BrClN4S2/c14-11-5-4-10(21-11)7-16-19-12(17-18-13(19)20)8-2-1-3-9(15)6-8/h1-7H,(H,18,20)/b16-7+
InChIKey DDIHLPYISFYKNE-FRKPEAEDSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16824
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D25038; Labnumber: GRES-03062; SBI_ID: SBI-016827
Synonyms 4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C