For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DcHnZI4K3Y0
Name 4-Keto-6-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
Alternate Name(s) 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
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
Molecular Weight 243.284 g/mol
SMILES N1C(C(=C(NC1=S)c1ccc(cc1)C)C#N)=O
SPLASH splash10-00kf-1690000000-94d6066a11101b02ecbc
Source of Spectrum SO-1979-288-4
Wiley ID 1537251