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3-(2,3-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
[CAS# 84772-24-7]

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Identification
Name 3-(2,3-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Synonyms 3-(2,3-Dimethylphenyl)-2-Thioxo-1H-Quinazolin-4-One; Zinc03263528; T0506-3812
Molecular Structure CAS#: 84772-24-7, 3-(2,3-Dimethyl-Phenyl)-2-Mercapto-3H-Quinazolin-4-One
Molecular Formula C16H14N2OS
Molecular Weight 282.36
CAS Registry Number 84772-24-7
SMILES C1=CC=C(C(=C1C)C)N3C(=O)C2=C(C=CC=C2)NC3=S
InChI 1S/C16H14N2OS/c1-10-6-5-9-14(11(10)2)18-15(19)12-7-3-4-8-13(12)17-16(18)20/h3-9H,1-2H3,(H,17,20)
InChIKey FJHSJZYYXVHWAY-UHFFFAOYSA-N
Properties
Density 1.331g/cm3 (Cal.)
Boiling point 455.692°C at 760 mmHg (Cal.)
Flash point 229.394°C (Cal.)
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