ChemSpider 2D Image | 2-bromo-4H,6H,7H-pyrano[4,3-d][1,3]thiazole | C6H6BrNOS

2-bromo-4H,6H,7H-pyrano[4,3-d][1,3]thiazole

  • Molecular FormulaC6H6BrNOS
  • Average mass220.087 Da
  • Monoisotopic mass218.935333 Da
  • ChemSpider ID29339833

More details:

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

1093107-56-2 [RN]
2-Brom-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol [German] [ACD/IUPAC Name]
2-bromo-4H,6H,7H-pyrano[4,3-d][1,3]thiazole
2-Bromo-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole [ACD/IUPAC Name]
2-Bromo-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole [French] [ACD/IUPAC Name]
2-Bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole
4H-Pyrano[4,3-d]thiazole, 2-bromo-6,7-dihydro- [ACD/Index Name]
MFCD22565668 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 310.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 141.8±25.1 °C
    Index of Refraction: 1.618
    Molar Refractivity: 44.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.40
    ACD/KOC (pH 5.5): 473.87
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.40
    ACD/KOC (pH 7.4): 473.88
    Polar Surface Area: 50 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 126.2±3.0 cm3

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