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7-trideuteromethylsulfanyl-2-methylsulfanyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
SpectraBase Compound ID 856OJHPQcb0
InChI InChI=1S/C6H6N4OS3/c1-12-3-7-4(11)10-5(8-3)14-6(9-10)13-2/h1-2H3/i1D3
InChIKey YBUXXTITNIXKGZ-FIBGUPNXSA-N
Mol Weight 249.34 g/mol
Molecular Formula C6H3D3N4OS3
Exact Mass 248.989205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGtUGjpNxLL
Name 7-trideuteromethylsulfanyl-2-methylsulfanyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3D3N4OS3
InChI InChI=1S/C6H6N4OS3/c1-12-3-7-4(11)10-5(8-3)14-6(9-10)13-2/h1-2H3/i1D3
InChIKey YBUXXTITNIXKGZ-FIBGUPNXSA-N
Molecular Weight 249.339 g/mol
SMILES C1=2N(C(N=C(N2)SC([D])([D])[D])=O)N=C(S1)SC
SPLASH splash10-000t-2390000000-8caf9d392fced5850a17
Source of Spectrum O-24-383-10a
Synonyms 7-trideuteromethylsulfanyl-2-methylsulfanyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
Wiley ID 1248295