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4-methyl-5-(trifluoromethyl)-2H-1,2,4-triazole-3-thione
SpectraBase Compound ID 4Qeayz9PBK6
InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
InChIKey HUZASKHMPBJXJP-UHFFFAOYSA-N
Mol Weight 183.15 g/mol
Molecular Formula C4H4F3N3S
Exact Mass 183.007803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSkNbxgrpwf
Name 4-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS Registry Number 30682-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4F3N3S
InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
InChIKey HUZASKHMPBJXJP-UHFFFAOYSA-N
Molecular Weight 183.152 g/mol
SMILES N1N=C(N(C1=S)C)C(F)(F)F
SPLASH splash10-001i-3900000000-646f752a19dc10513220
Source of Spectrum NP-3-1369-0
Synonyms 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(trifluoromethyl)- 4-Methyl-5-trifluoromethyl-4H-1,2,4-tri- azolin-3(2H)-thione
Wiley ID 1102199