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3-(2,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
[CAS# 22458-49-7]

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Identification
Name 3-(2,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Synonyms 3-(2,4-Dimethylphenyl)-2-Thioxo-1H-Quinazolin-4-One; St5211094; Zinc00314518
Molecular Structure CAS#: 22458-49-7, 3-(2,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Molecular Formula C16H14N2OS
Molecular Weight 282.36
CAS Registry Number 22458-49-7
SMILES C1=CC(=CC(=C1N3C(C2=C(C=CC=C2)NC3=S)=O)C)C
InChI 1S/C16H14N2OS/c1-10-7-8-14(11(2)9-10)18-15(19)12-5-3-4-6-13(12)17-16(18)20/h3-9H,1-2H3,(H,17,20)
InChIKey SEZJTXHVFMJNKG-UHFFFAOYSA-N
Properties
Density 1.331g/cm3 (Cal.)
Boiling point 450.83°C at 760 mmHg (Cal.)
Flash point 226.454°C (Cal.)
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List of Reports Available for 3-(2,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
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