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2-Methyl-7-(d3-methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
SpectraBase Compound ID KNZTBNYr56X
InChI InChI=1S/C6H6N4OS2/c1-3-9-10-5(11)7-4(12-2)8-6(10)13-3/h1-2H3/i2D3
InChIKey CLKVMTSCAIMGJU-BMSJAHLVSA-N
Mol Weight 217.28 g/mol
Molecular Formula C6H3D3N4OS2
Exact Mass 217.017133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Gj8TnUfcVL
Name 2-Methyl-7-(d3-methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
CAS Registry Number 58326-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3D3N4OS2
InChI InChI=1S/C6H6N4OS2/c1-3-9-10-5(11)7-4(12-2)8-6(10)13-3/h1-2H3/i2D3
InChIKey CLKVMTSCAIMGJU-BMSJAHLVSA-N
Molecular Weight 217.279 g/mol
SMILES C1=2N(C(N=C(N2)SC([D])([D])[D])=O)N=C(S1)C
SPLASH splash10-0002-4930000000-9be27d959d526e9fee90
Source of Spectrum O-24-383-7a
Synonyms 2-Methyl-7-(d3-methylthio)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one 2-Methyl-7-D3-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one 2-Methyl-7-D3-methylthio-1,3,4-thiadiazolo(3,2-a)(1,3,5)triazine-5-one
Wiley ID 1212922