ChemSpider 2D Image | 1-(2-Bromothiazol-5-yl)propan-1-one | C6H6BrNOS

1-(2-Bromothiazol-5-yl)propan-1-one

  • Molecular FormulaC6H6BrNOS
  • Average mass220.087 Da
  • Monoisotopic mass218.935333 Da
  • ChemSpider ID30775354

More details:

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

1-(2-Brom-1,3-thiazol-5-yl)-1-propanon [German] [ACD/IUPAC Name]
1-(2-Bromo-1,3-thiazol-5-yl)-1-propanone [ACD/IUPAC Name]
1-(2-Bromo-1,3-thiazol-5-yl)-1-propanone [French] [ACD/IUPAC Name]
1-(2-Bromothiazol-5-yl)propan-1-one
1194056-22-8 [RN]
1-Propanone, 1-(2-bromo-5-thiazolyl)- [ACD/Index Name]
1-(2-bromo-1,3-thiazol-5-yl)propan-1-one
MFCD27938985

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 277.1±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 121.4±19.8 °C
    Index of Refraction: 1.575
    Molar Refractivity: 45.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.82
    ACD/KOC (pH 5.5): 203.95
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.82
    ACD/KOC (pH 7.4): 203.95
    Polar Surface Area: 58 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 136.4±3.0 cm3

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