ChemSpider 2D Image | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | C15H10F2N2OS

3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one

  • Molecular FormulaC15H10F2N2OS
  • Average mass304.315 Da
  • Monoisotopic mass304.048187 Da
  • ChemSpider ID25058093

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(2,6-Difluorophenyl)-2-(methylsulfanyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(2,6-Difluorophényl)-2-(méthylsulfanyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
3-(2,6-Difluorphenyl)-2-(methylsulfanyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(2,6-difluorophenyl)-2-(methylthio)- [ACD/Index Name]
3-(2,6-difluorophenyl)-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one
3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4-one
TC8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 424.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 79.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.68
ACD/KOC (pH 5.5): 1182.00
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.68
ACD/KOC (pH 7.4): 1182.00
Polar Surface Area: 58 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 220.8±7.0 cm3

Click to predict properties on the Chemicalize site


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