ChemSpider 2D Image | 6-bromo-2,2-dioxo-2lambda6-isothiochroman-4-ylamine | C9H10BrNO2S

6-bromo-2,2-dioxo-2λ6-isothiochroman-4-ylamine

  • Molecular FormulaC9H10BrNO2S
  • Average mass276.150 Da
  • Monoisotopic mass274.961548 Da
  • ChemSpider ID24534282

More details:

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

1H-2-Benzothiopyran-4-amine, 6-bromo-3,4-dihydro-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 6-bromo-3,4-dihydro-1H-isothiochromén-4-amine [French] [ACD/IUPAC Name]
6-Brom-3,4-dihydro-1H-isothiochromen-4-amin-2,2-dioxid [German] [ACD/IUPAC Name]
6-bromo-2,2-dioxo-2λ6-isothiochroman-4-ylamine
6-Bromo-3,4-dihydro-1H-isothiochromen-4-amine 2,2-dioxide [ACD/IUPAC Name]
916420-32-1 [RN]
MFCD09025780 [MDL number]
[916420-32-1] [RN]
1H-2-Benzothiopyran-4-amine,6-bromo-3,4-dihydro-, 2,2-dioxide
4-AMINO-6-BROMO-3,4-DIHYDRO-1H-2??-BENZOTHIOPYRAN-2,2-DIONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 461.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.6±28.7 °C
    Index of Refraction: 1.623
    Molar Refractivity: 58.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.76
    ACD/LogD (pH 7.4): 0.74
    ACD/BCF (pH 7.4): 2.12
    ACD/KOC (pH 7.4): 58.80
    Polar Surface Area: 69 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 166.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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