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4-Methyl-3-(methylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazole
SpectraBase Compound ID EXgLDTKs0Qi
InChI InChI=1S/C5H6F3N3S/c1-11-3(5(6,7)8)9-10-4(11)12-2/h1-2H3
InChIKey RKNRZDUBPDCHPD-UHFFFAOYSA-N
Mol Weight 197.18 g/mol
Molecular Formula C5H6F3N3S
Exact Mass 197.023453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71OuGQ7YAdS
Name 4-Methyl-3-(methylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazole
CAS Registry Number 54770-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6F3N3S
InChI InChI=1S/C5H6F3N3S/c1-11-3(5(6,7)8)9-10-4(11)12-2/h1-2H3
InChIKey RKNRZDUBPDCHPD-UHFFFAOYSA-N
Molecular Weight 197.179 g/mol
SMILES c1([n](c(SC)nn1)C)C(F)(F)F
SPLASH splash10-0f6t-9700000000-b5c1452e47be7d86d2c5
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole, 3-trifluromethyl-4-methyl-5-methylthio- 4-Methyl-3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazole 4-Methyl-3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazole
Wiley ID 1424760