ChemSpider 2D Image | 7-(4-Bromophenyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-one | C13H9BrN2OS

7-(4-Bromophenyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC13H9BrN2OS
  • Average mass321.192 Da
  • Monoisotopic mass319.961884 Da
  • ChemSpider ID29197070

More details:

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

7-(4-Bromophenyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
7-(4-Bromophényl)-3-méthylthiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
7-(4-Bromphenyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 7-(4-bromophenyl)-3-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 454.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.5±31.5 °C
Index of Refraction: 1.728
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.36
ACD/KOC (pH 5.5): 1382.43
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.36
ACD/KOC (pH 7.4): 1382.44
Polar Surface Area: 61 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 195.4±7.0 cm3

Click to predict properties on the Chemicalize site


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