3-(2-ETHOXY-PHENYL)-2-MERCAPTO-3H-QUINAZOLIN-4-ONE

The CAS register number of 4(1H)-Quinazolinone,3-(2-ethoxyphenyl)-2,3-dihydro-2-thioxo- is 65141-61-9. It also can be called as 3-(2-ethoxyphenyl)-2-sulfanylquinazolin-4(3H)-one and the systematic name about this chemical is 3-(2-ethoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. The molecular formula about this chemical is C₁₆H₁₄N₂O₂S and the molecular weight is 298.3596.

Physical properties about 4(1H)-Quinazolinone,3-(2-ethoxyphenyl)-2,3-dihydro-2-thioxo- are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.14; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 142.87; (5)ACD/BCF (pH 7.4): 142.83; (6)ACD/KOC (pH 5.5): 1213.7; (7)ACD/KOC (pH 7.4): 1213.39; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 64.87 Å²; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 84.43 cm³; (14)Molar Volume: 218.7 cm³; (15)Polarizability: 33.47x10^-24cm³; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 232.3 °C; (19)Enthalpy of Vaporization: 72.11 kJ/mol; (20)Boiling Point: 460.5 °C at 760 mmHg; (21)Vapour Pressure: 1.16E-08 mmHg at 25 °C.

Uses of 4(1H)-Quinazolinone,3-(2-ethoxyphenyl)-2,3-dihydro-2-thioxo-: it can be used to produce 3-(2-ethoxy-phenyl)-2-hydrazino-3H-quinazolin-4-one with 3-(2-ethoxy-phenyl)-1H-quinazoline-2,4-dione. This reaction will need reagent of 72percent hydrazine hydrate and solvent of ethanol. This reaction needs heating. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)NC(=S)N2c3ccccc3OCC
(2)InChI: InChI=1/C16H14N2O2S/c1-2-20-14-10-6-5-9-13(14)18-15(19)11-7-3-4-8-12(11)17-16(18)21/h3-10H,2H2,1H3,(H,17,21)
(3)InChIKey: OBNUCCXLLRXLAD-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C16H14N2O2S/c1-2-20-14-10-6-5-9-13(14)18-15(19)11-7-3-4-8-12(11)17-16(18)21/h3-10H,2H2,1H3,(H,17,21)
(5)Std. InChIKey: OBNUCCXLLRXLAD-UHFFFAOYSA-N