4(1H)-Quinazolinone, 3-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo- supplier

Name
3-(4-ETHOXYPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
EINECS
CAS No. 1035-51-4
Article Data6
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point >250 °C
Formula C₁₆H₁₄N₂O₂S
Boiling Point 475.2 °C at 760 mmHg
Molecular Weight 298.365
Flash Point 241.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4(1H,3H)-Quinazolinedione,3-(p-ethoxyphenyl)-2-thio- (8CI);4(3H)-Quinazolinone, 3-(p-ethoxyphenyl)-2-mercapto-(7CI);2-Mercapto-3-(p-ethoxyphenyl)-4-quinazolinone;
PSA 79.11000
LogP 3.44700

4(1H)-Quinazolinone, 3-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo- Specification

This chemical is called 4(1H)-Quinazolinone, 3-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo-, and its systematic name is 3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one. With the molecular formula of C₁₆H₁₄N₂O₂S, its molecular weight is 298.35956. The CAS registry number of this chemical is 1035-51-4.

Other characteristics of the 4(1H)-Quinazolinone, 3-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo- can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 48.22; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 328.32; (8)ACD/KOC (pH 7.4): 10.48; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.87 Å²; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 84.43 cm³; (15)Molar Volume: 218.7 cm³; (16)Polarizability: 33.47×10^-24cm³; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 241.2 °C; (20)Enthalpy of Vaporization: 73.86 kJ/mol; (21)Boiling Point: 475.2 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1c(cccc1)NC(=S)N2c3ccc(OCC)cc3
2.InChI: InChI=1/C16H14N2O2S/c1-2-20-12-9-7-11(8-10-12)18-15(19)13-5-3-4-6-14(13)17-16(18)21/h3-10H,2H2,1H3,(H,17,21)
3.InChIKey: PLVWRJNAVRGYCJ-UHFFFAOYAE

Product Name

3-(4-ETHOXYPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE

4(1H)-Quinazolinone, 3-(4-ethoxyphenyl)-2,3-dihydro-2-thioxo- Specification

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