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3-METHYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

View entire compound with spectra: 4 NMR, and 1 MS (GC)

3-METHYL-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID IjX918Z3Am0
InChI InChI=1S/C6H7N3S/c1-3-4-10-6-7-5(2)8-9-6/h1H,4H2,2H3,(H,7,8,9)
InChIKey RQCXUAQPEWWPFG-UHFFFAOYSA-N
Mol Weight 153.2 g/mol
Molecular Formula C6H7N3S
Exact Mass 153.036068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2KPYJTf0wP
Name 5-Methyl-3-(prop-2-ynylthio)-1H-1,2,4-triazole
Alternate Name(s) 5-Methyl-3-(propargylthio)-1H-1,2,4-triazole 5-Methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3S
InChI InChI=1S/C6H7N3S/c1-3-4-10-6-7-5(2)8-9-6/h1H,4H2,2H3,(H,7,8,9)
InChIKey RQCXUAQPEWWPFG-UHFFFAOYSA-N
Molecular Weight 153.203 g/mol
SMILES [nH]1nc(nc1C)SCC#C
SPLASH splash10-0h0s-5900000000-b385c006817ec26bef14
Source of Spectrum SK-29-4421-2
Wiley ID 880975