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16024-87-6

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Basic Information
CAS No.: 16024-87-6
Name: 3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
Molecular Structure:
Molecular Structure of 16024-87-6 (3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE)
Formula: C11H12N2O2S
Molecular Weight: 236.294
Synonyms: 4(3H)-Quinazolinone,3-(3-hydroxypropyl)-2-mercapto- (8CI);
Density: 1.41 g/cm3
Boiling Point: 427.6 °C at 760 mmHg
Flash Point: 212.4 °C
PSA: 90.11000
LogP: 1.44150
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Specification

The 4(1H)-Quinazolinone,2,3-dihydro-3-(3-hydroxypropyl)-2-thioxo- is an organic compound with the formula C11H12N2O2S. The systematic name of this chemical is 3-(3-Hydroxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With the CAS registry number 16024-87-6, it is also named as 4(3H)-Quinazolinone, 3-(3-hydroxypropyl)-2-mercapto-. Besides, its molecular weight is 236.2902.

Physical properties about 4(1H)-Quinazolinone,2,3-dihydro-3-(3-hydroxypropyl)-2-thioxo- are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): 0.53; (3)ACD/LogD (pH 7.4): 0.53; (4)ACD/BCF (pH 5.5): 1.48; (5)ACD/BCF (pH 7.4): 1.48; (6)ACD/KOC (pH 5.5): 46.19; (7)ACD/KOC (pH 7.4): 46.18; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.87 Å2; (12)Index of Refraction: 1.693; (13)Molar Refractivity: 64.15 cm3; (14)Molar Volume: 167.2 cm3; (15)Polarizability: 25.43×10-24 cm3; (16)Surface Tension: 77.4 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 212.4 °C; (19)Enthalpy of Vaporization: 71.96 kJ/mol; (20)Boiling Point: 427.6 °C at 760 mmHg; (21)Vapour Pressure: 4.5E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H12N2O2S/c14-7-3-6-13-10(15)8-4-1-2-5-9(8)12-11(13)16/h1-2,4-5,14H,3,6-7H2,(H,12,16)
(2)InChIKey: QGSCELNVXTZYSJ-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C11H12N2O2S/c14-7-3-6-13-10(15)8-4-1-2-5-9(8)12-11(13)16/h1-2,4-5,14H,3,6-7H2,(H,12,16)
(4)Std. InChIKey: QGSCELNVXTZYSJ-UHFFFAOYSA-N