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2-(Benzylthio)-7-hydroxy-5H-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one
SpectraBase Compound ID 8wdV1rWmRuH
InChI InChI=1S/C12H9N3O2S2/c16-9-6-10(17)15-11(13-9)19-12(14-15)18-7-8-4-2-1-3-5-8/h1-6,16H,7H2
InChIKey OWZBIPBMKWHBJJ-UHFFFAOYSA-N
Mol Weight 291.34 g/mol
Molecular Formula C12H9N3O2S2
Exact Mass 291.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KCsocXVbjE
Name 2-(Benzylthio)-7-hydroxy-5H-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one
Alternate Name(s) 2-(Benzylsulfanyl)-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS Registry Number 69395-68-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S2
InChI InChI=1S/C12H9N3O2S2/c16-9-6-10(17)15-11(13-9)19-12(14-15)18-7-8-4-2-1-3-5-8/h1-6,16H,7H2
InChIKey OWZBIPBMKWHBJJ-UHFFFAOYSA-N
Molecular Weight 291.343 g/mol
SMILES OC1=CC(N2C(=N1)SC(=N2)SCc1ccccc1)=O
SPLASH splash10-0007-9410000000-8c5dae5fb61bb750d555
Source of Spectrum W5-1989-6890-1
Wiley ID 1294337