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1,2,4-Triazole, 5-methylthio-5-phenyl-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,2,4-Triazole, 5-methylthio-5-phenyl-
SpectraBase Compound ID KaHwpNJaYnC
InChI InChI=1S/C9H9N3S/c1-13-9-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey HKFUGORCXQUEIS-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C9H9N3S
Exact Mass 191.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6TPeJuBvdE
Name 1,2,4-Triazole, 5-methylthio-5-phenyl-
CAS Registry Number 7747-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3S
InChI InChI=1S/C9H9N3S/c1-13-9-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey HKFUGORCXQUEIS-UHFFFAOYSA-N
Molecular Weight 191.252 g/mol
SMILES [nH]1nc(nc1SC)-c1ccccc1
SPLASH splash10-0006-5900000000-33dd9b244ff919180582
Source of Spectrum AD-0-2532-0
Synonyms Methyl 3-phenyl-1H-1,2,4-triazol-5-yl sulfide 3-(methylthio)-5-phenyl-1H-1,2,4-triazole 3-Methylsulfanyl-5-phenyl-1H-1,2,4-triazole 5-(methylsulfanyl)-3-phenyl-1H-1,2,4-triazole
Wiley ID 1423507