ChemSpider 2D Image | 2,2'-Dimethyl-4'-thioxo-4H,4'H-3,3'-biquinazolin-4-one | C18H14N4OS

2,2'-Dimethyl-4'-thioxo-4H,4'H-3,3'-biquinazolin-4-one

  • Molecular FormulaC18H14N4OS
  • Average mass334.395 Da
  • Monoisotopic mass334.088837 Da
  • ChemSpider ID30653547

More details:

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

[3,3'(4H,4'H)-Biquinazolin]-4-one, 2,2'-dimethyl-4'-thioxo- [ACD/Index Name]
2,2'-Dimethyl-4'-thioxo-4H,4'H-3,3'-bichinazolin-4-on [German] [ACD/IUPAC Name]
2,2'-Dimethyl-4'-thioxo-4H,4'H-3,3'-biquinazolin-4-one [ACD/IUPAC Name]
2,2'-Diméthyl-4'-thioxo-4H,4'H-3,3'-biquinazolin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.8±25.4 °C
Index of Refraction: 1.729
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.32
ACD/KOC (pH 5.5): 351.74
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.32
ACD/KOC (pH 7.4): 351.74
Polar Surface Area: 80 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

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