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7-(methylthio)-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID JoMgpnlu3Po
InChI InChI=1S/C12H9N3OS2/c1-17-10-9(8-5-3-2-4-6-8)11(16)15-12(14-10)18-7-13-15/h2-7H,1H3
InChIKey LQMCDGALJKEONP-UHFFFAOYSA-N
Mol Weight 275.34 g/mol
Molecular Formula C12H9N3OS2
Exact Mass 275.018704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8jvidTrVja
Name 7-(methylthio)-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS2
InChI InChI=1S/C12H9N3OS2/c1-17-10-9(8-5-3-2-4-6-8)11(16)15-12(14-10)18-7-13-15/h2-7H,1H3
InChIKey LQMCDGALJKEONP-UHFFFAOYSA-N
Molecular Weight 275.344 g/mol
SMILES C1=2N(C(C(=C(N2)SC)c2ccccc2)=O)N=CS1
SPLASH splash10-01t9-0090000000-cd9e97a4f4f0c7dd5056
Source of Spectrum AH-127-1279-4
Synonyms 7-Methylsulfanyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Wiley ID 1278870