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4-Keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID FNOLyrsICkP
InChI InChI=1S/C12H9N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKey KWPORPUTWFECTQ-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OS41fiHrPF
Name 4-Keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKey KWPORPUTWFECTQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401193e
Molecular Weight 243.284 g/mol
SMILES N1C(NC(C(=C1c1ccc(cc1)C)C#N)=O)=S
SPLASH splash10-00ke-0940000000-30f854d93176a9572694
Source of Spectrum J-78-7996-5b
Synonyms 4-Oxo-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile 1,2,3,4-Tetrahydro-6-(4-methylphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile 6-(4-Methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-Methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-Oxo-2-thioxo-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Wiley ID 1745712