ChemSpider 2D Image | 5-Bromothieno[2,3-d]pyrimidine | C6H3BrN2S

5-Bromothieno[2,3-d]pyrimidine

  • Molecular FormulaC6H3BrN2S
  • Average mass215.070 Da
  • Monoisotopic mass213.920029 Da
  • ChemSpider ID24598383

More details:

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

1379322-62-9 [RN]
5-Bromothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
5-Bromothiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
5-Bromthieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 5-bromo- [ACD/Index Name]
2-bromo-6-methoxypyrido[3,4-d]pyrimidine [ACD/IUPAC Name]
DS-11583
MFCD11042737 [MDL number]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 309.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.9±3.0 kJ/mol
    Flash Point: 141.2±22.3 °C
    Index of Refraction: 1.734
    Molar Refractivity: 46.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.33
    ACD/KOC (pH 5.5): 311.14
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.33
    ACD/KOC (pH 7.4): 311.15
    Polar Surface Area: 54 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 68.8±3.0 dyne/cm
    Molar Volume: 115.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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