ChemSpider 2D Image | 2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-3-methylthieno[3,2-d]pyrimidin-4(3H)-one | C20H14F2N2OS2

2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-3-methylthieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H14F2N2OS2
  • Average mass400.465 Da
  • Monoisotopic mass400.051544 Da
  • ChemSpider ID31545189

More details:

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

2-{[Bis(4-fluorophenyl)methyl]sulfanyl}-3-methylthieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-{[Bis(4-fluorophényl)méthyl]sulfanyl}-3-méthylthiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
2-{[Bis(4-fluorphenyl)methyl]sulfanyl}-3-methylthieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[bis(4-fluorophenyl)methyl]thio]-3-methyl- [ACD/Index 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: 531.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.5±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1920.94
ACD/KOC (pH 5.5): 7797.15
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1920.94
ACD/KOC (pH 7.4): 7797.15
Polar Surface Area: 86 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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