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5-(prop-2-ynylthio)-1H-1,2,4-triazole

Compound with spectra: 4 NMR, and 1 MS (GC)

5-(prop-2-ynylthio)-1H-1,2,4-triazole
SpectraBase Compound ID 7FiviPEcCG2
InChI InChI=1S/C5H5N3S/c1-2-3-9-5-6-4-7-8-5/h1,4H,3H2,(H,6,7,8)
InChIKey QFHGOLSDIGCZSJ-UHFFFAOYSA-N
Mol Weight 139.18 g/mol
Molecular Formula C5H5N3S
Exact Mass 139.020418 g/mol

View Spectrum of 5-(prop-2-ynylthio)-1H-1,2,4-triazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 5-(prop-2-ynylthio)-1H-1,2,4-triazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 5-(prop-2-ynylthio)-1H-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SK-29-4420-2

View Spectrum of 5-(prop-2-ynylthio)-1H-1,2,4-triazole

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 5-(prop-2-ynylthio)-1H-1,2,4-triazole

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD
  • 5-(PROP-2-YN-1-SULFANYL)-1H-1,2,4-TRIAZOLE;R1=H
2-PYRIMIDYL_2-PROPENYL_SULFIDE
3-(METHYLTHIO)-1,2,4-TRIAZINE
1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-
1-METHYL-3-METHYLTHIO-1,2,4-TRIAZOLE
5-Amino-3-methylthio-1,2,4-triazole
5-Methylamino-3-methylthio-1,2,4-triazole
1,2,4,5-Tetrazine, 3,6-bis(methylthio)-
3-amino-1H-1,2,4-triazole, lactate(1:1)(salt)
OUZCWDMJTKYHCA-UHFFFAOYSA-N
(4H-[1,2,4]Triazol-3-yl)acetonitrile
Title Journal or Book Year
GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives Magnetic Resonance in Chemistry 2013
Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques Magnetic Resonance in Chemistry 2008

This compound is available in the following databases:

KnowItAll NMR Spectral Library
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Wiley Registry of Mass Spectral Data 2023
Author: Wiley

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