ChemSpider 2D Image | 5-(1-Benzofuran-2-yl)-1,2,4-triazine-3(2H)-thione | C11H7N3OS

5-(1-Benzofuran-2-yl)-1,2,4-triazine-3(2H)-thione

  • Molecular FormulaC11H7N3OS
  • Average mass229.258 Da
  • Monoisotopic mass229.030975 Da
  • ChemSpider ID27444434

More details:

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

1,2,4-Triazine-3-thiol, 5-(2-benzofuranyl)- [ACD/Index Name]
5-(1-Benzofuran-2-yl)-1,2,4-triazin-3(2H)-thion [German] [ACD/IUPAC Name]
5-(1-Benzofuran-2-yl)-1,2,4-triazine-3(2H)-thione [ACD/IUPAC Name]
5-(1-Benzofuran-2-yl)-1,2,4-triazine-3(2H)-thione [French] [ACD/IUPAC Name]
1,2,4-triazine-3-thiol, 5-(2-benzofuranyl)
5-(1-benzofuran-2-yl)-2H-1,2,4-triazine-3-thione
859763-77-2 [RN]
MFCD22056568 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 456.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 230.1±26.5 °C
    Index of Refraction: 1.701
    Molar Refractivity: 63.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.30
    ACD/LogD (pH 7.4): -0.71
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 67.3±3.0 dyne/cm
    Molar Volume: 163.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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