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5-Cyano-6-methylthio-2-phenyl-4-thioxo-3,4-dihydropyrimidine
SpectraBase Compound ID 7pZBE5WcFeU
InChI InChI=1S/C12H9N3S2/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey GUTANOPNJZCPSE-UHFFFAOYSA-N
Mol Weight 259.34 g/mol
Molecular Formula C12H9N3S2
Exact Mass 259.02379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID smNUwEQIcs
Name 5-Cyano-6-methylthio-2-phenyl-4-thioxo-3,4-dihydropyrimidine
Alternate Name(s) 4-(methylsulfanyl)-2-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile 4-(methylthio)-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-Methylsulfanyl-2-phenyl-6-thioxo-1H-pyrimidine-5-carbonitrile 4-Methylsulfanyl-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3S2
InChI InChI=1S/C12H9N3S2/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey GUTANOPNJZCPSE-UHFFFAOYSA-N
Molecular Weight 259.345 g/mol
SMILES N1C(C(=C(N=C1c1ccccc1)SC)C#N)=S
SPLASH splash10-0pdi-5980000000-fe2b955296cb4db64796
Source of Spectrum H1-34-1580-5
Wiley ID 754748