ChemSpider 2D Image | 6-Ethyl-1H-pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione 5,5-dioxide | C12H11N3O2S2

6-Ethyl-1H-pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione 5,5-dioxide

  • Molecular FormulaC12H11N3O2S2
  • Average mass293.365 Da
  • Monoisotopic mass293.029266 Da
  • ChemSpider ID24790038

More details:

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

1H-Pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione, 6-ethyl-, 5,5-dioxide [ACD/Index Name]
5,5-Dioxyde de 6-éthyl-1H-pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione [French] [ACD/IUPAC Name]
6-Ethyl-1H-pyrimido[5,4-c][2,1]benzothiazin-2(6H)-thion-5,5-dioxid [German] [ACD/IUPAC Name]
6-Ethyl-1H-pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione 5,5-dioxide [ACD/IUPAC Name]
1255776-67-0 [RN]
6-ethyl-3H-pyrimido[5,4-c][2,1]benzothiazine-2(6H)-thione 5,5-dioxide
6-ethyl-5,5-dioxo-1H-pyrimido[5,4-c][2,1]benzothiazine-2-thione
6-ethyl-6H-pyrimido[5,4-c][2,1]benzothiazine-2-thiol 5,5-dioxide
MFCD28962962

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 467.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.2±31.5 °C
    Index of Refraction: 1.754
    Molar Refractivity: 77.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.64
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 4.05
    ACD/KOC (pH 5.5): 94.44
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.66
    ACD/KOC (pH 7.4): 62.00
    Polar Surface Area: 102 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 62.0±7.0 dyne/cm
    Molar Volume: 188.6±7.0 cm3

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