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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 2gsiQh2HgrU
InChI InChI=1S/C12H12N6S2/c1-7-3-4-20-10(7)6-13-18-11(16-17-12(18)19)9-5-8(2)14-15-9/h3-6H,1-2H3,(H,14,15)(H,17,19)/b13-6+
InChIKey PJCWBMDCWGHWDJ-AWNIVKPZSA-N
Mol Weight 304.39 g/mol
Molecular Formula C12H12N6S2
Exact Mass 304.056487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3NCQ2B41UNY
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-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/C12H12N6S2/c1-7-3-4-20-10(7)6-13-18-11(16-17-12(18)19)9-5-8(2)14-15-9/h3-6H,1-2H3,(H,14,15)(H,17,19)/b13-6+
InChIKey PJCWBMDCWGHWDJ-AWNIVKPZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4137
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: E00845; Labnumber: GRES-33608; SBI_ID: SBI-004139
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 308 °C