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3-Mercapto-4H-5-(5-methylisoxazol-3-yl)-1,2,4-triazole
SpectraBase Compound ID B4BwfyVhUN7
InChI InChI=1S/C6H6N4OS/c1-3-2-4(10-11-3)5-7-6(12)9-8-5/h2H,1H3,(H2,7,8,9,12)
InChIKey USWJTFJSMIWASF-UHFFFAOYSA-N
Mol Weight 182.2 g/mol
Molecular Formula C6H6N4OS
Exact Mass 182.026232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InomtXrgUuL
Name 3-Mercapto-4H-5-(5-methylisoxazol-3-yl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4OS
InChI InChI=1S/C6H6N4OS/c1-3-2-4(10-11-3)5-7-6(12)9-8-5/h2H,1H3,(H2,7,8,9,12)
InChIKey USWJTFJSMIWASF-UHFFFAOYSA-N
Molecular Weight 182.201 g/mol
SMILES [nH]1c(nnc1-c1noc(c1)C)S
SPLASH splash10-0536-6900000000-d9c37907af73dae07f2b
Source of Spectrum Y1-38B-1068-4
Synonyms 5-(5-Methyl-3-isoxazolyl)-4H-1,2,4-triazol-3-yl hydrosulfide 5-(5-Methyl-3-isoxazolyl)-4H-1,2,4-triazole-3-thiol 5-(5-Methyl-3-isoxazolyl)-1,2-dihydro-1,2,4-triazole-3-thione 5-(5-Methyl-1,2-oxazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione 5-(5-Methylisoxazol-3-yl)-4H-1,2,4-triazole-3-thiol
Wiley ID 1743943