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2(1H)-Pyrimidinethione, 4-phenyl-6-(phenylthio)-
SpectraBase Compound ID Cgy7XP2cvZi
InChI InChI=1S/C16H12N2S2/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)20-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKey IKSHRMAMXGSGKD-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C16H12N2S2
Exact Mass 296.044191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKJBRcG94l5
Name 2(1H)-Pyrimidinethione, 4-phenyl-6-(phenylthio)-
CAS Registry Number 83240-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2S2
InChI InChI=1S/C16H12N2S2/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)20-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKey IKSHRMAMXGSGKD-UHFFFAOYSA-N
Molecular Weight 296.406 g/mol
SMILES N1C(N=C(C=C1Sc1ccccc1)c1ccccc1)=S
SPLASH splash10-03dj-0090000000-5dfd92ec746c63ed6d83
Source of Spectrum F-38-948-0
Synonyms 4-Phenyl-6-(phenylsulfanyl)-2(1H)-pyrimidinethione 6-Phenyl-4-phenylthio-pyrimidin-2-thione
Wiley ID 1298966