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6-(3-Chlorophenyl)-5-cyano-2-methyl-4-thioxo-3,4-dihydropyrimidine
SpectraBase Compound ID 3lUwhZASELs
InChI InChI=1S/C12H8ClN3S/c1-7-15-11(10(6-14)12(17)16-7)8-3-2-4-9(13)5-8/h2-5H,1H3,(H,15,16,17)
InChIKey LKYLEDZGYUCNPJ-UHFFFAOYSA-N
Mol Weight 261.73 g/mol
Molecular Formula C12H8ClN3S
Exact Mass 261.012746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS5n41zP2TI
Name 6-(3-Chlorophenyl)-5-cyano-2-methyl-4-thioxo-3,4-dihydropyrimidine
CAS Registry Number 82141-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClN3S
InChI InChI=1S/C12H8ClN3S/c1-7-15-11(10(6-14)12(17)16-7)8-3-2-4-9(13)5-8/h2-5H,1H3,(H,15,16,17)
InChIKey LKYLEDZGYUCNPJ-UHFFFAOYSA-N
Molecular Weight 261.730 g/mol
SMILES N1C(=NC(=C(C1=S)C#N)c1cc(Cl)ccc1)C
SPLASH splash10-03k9-0290000000-55e0d526b949f420c909
Source of Spectrum Y4-77-257-0
Synonyms 4-(3-Chlorophenyl)-2-methyl-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile 6-(3-Chlorophenyl)-2-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(3-Chlorophenyl)-2-methyl-4-thioxo-1H-pyrimidine-5-carbonitrile 6-(m-Chlorophenyl)-5-cyano-2-methyl-4-thioxo-3,4-dihydropyrimidine
Wiley ID 1512949