ChemSpider 2D Image | 4-Bromo-3-(methylsulfanyl)pyridine | C6H6BrNS

4-Bromo-3-(methylsulfanyl)pyridine

  • Molecular FormulaC6H6BrNS
  • Average mass204.087 Da
  • Monoisotopic mass202.940430 Da
  • ChemSpider ID30784411

More details:

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

1394291-44-1 [RN]
4-Brom-3-(methylsulfanyl)pyridin [German] [ACD/IUPAC Name]
4-Bromo-3-(methylsulfanyl)pyridine [ACD/IUPAC Name]
4-Bromo-3-(méthylsulfanyl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 4-bromo-3-(methylthio)- [ACD/Index Name]
[1394291-44-1] [RN]
4-Bromo-3-(methylthio)pyridine
4-bromo-3-methylsulfanylpyridine
4-bromo-3-methylsulfanyl-pyridine
MFCD22543685

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 263.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.1±3.0 kJ/mol
    Flash Point: 113.3±23.2 °C
    Index of Refraction: 1.630
    Molar Refractivity: 44.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 47.06
    ACD/KOC (pH 5.5): 547.84
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.17
    ACD/KOC (pH 7.4): 549.05
    Polar Surface Area: 38 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 54.3±5.0 dyne/cm
    Molar Volume: 126.2±5.0 cm3

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