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2-Methylsulfanyl-3-Phenylquinazolin-4-One
[CAS# 73987-32-3]

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Identification
Name 2-Methylsulfanyl-3-Phenylquinazolin-4-One
Synonyms 2-Methylsulfanyl-3-Phenyl-Quinazolin-4-One; 2-(Methylthio)-3-Phenyl-4-Quinazolinone; 2-(Methylthio)-3-Phenyl-Quinazolin-4-One
Molecular Structure CAS#: 73987-32-3, 2-Methylsulfanyl-3-Phenylquinazolin-4-One
Molecular Formula C15H12N2OS
Molecular Weight 268.33
CAS Registry Number 73987-32-3
SMILES C3=C(N1C(=NC2=C(C1=O)C=CC=C2)SC)C=CC=C3
InChI 1S/C15H12N2OS/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey RIXNXRQGSOJIKY-UHFFFAOYSA-N
Properties
Density 1.248g/cm3 (Cal.)
Melting point 123-125°C (Expl.)
Boiling point 438.066°C at 760 mmHg (Cal.)
Flash point 218.735°C (Cal.)
References
(1) Ion Ghiviriga, Bahaa El-Dien M. El-Gendy, Peter J. Steel and Alan R. Katritzky. Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds, Org. Biomol. Chem., 2009, 7, 4110.
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