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3-(3,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
[CAS# 84772-25-8]

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Identification
Name 3-(3,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Synonyms 3-(3,4-Dimethylphenyl)-2-Thioxo-1H-Quinazolin-4-One; Oprea1_428185; Nsc146567
Molecular Structure CAS#: 84772-25-8, 3-(3,4-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Molecular Formula C16H14N2OS
Molecular Weight 282.36
CAS Registry Number 84772-25-8
SMILES C1=CC(=CC(=C1C)C)N3C(=O)C2=C(C=CC=C2)NC3=S
InChI 1S/C16H14N2OS/c1-10-7-8-12(9-11(10)2)18-15(19)13-5-3-4-6-14(13)17-16(18)20/h3-9H,1-2H3,(H,17,20)
InChIKey LDGVGGRFBWCZTP-UHFFFAOYSA-N
Properties
Density 1.331g/cm3 (Cal.)
Boiling point 465.1°C at 760 mmHg (Cal.)
Flash point 235.084°C (Cal.)
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