ChemSpider 2D Image | Ethyl 3-amino-1-benzothiophene-2-carboxylate 1,1-dioxide | C11H11NO4S

Ethyl 3-amino-1-benzothiophene-2-carboxylate 1,1-dioxide

  • Molecular FormulaC11H11NO4S
  • Average mass253.274 Da
  • Monoisotopic mass253.040878 Da
  • ChemSpider ID22336870

More details:

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

1,1-Dioxyde de 3-amino-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-amino-, ethyl ester, 1,1-dioxide [ACD/Index Name]
Ethyl 3-amino-1-benzothiophene-2-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Ethyl-3-amino-1-benzothiophen-2-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
[936074-60-1] [RN]
936074-60-1 [RN]
AGN-PC-015OZM
AKOS005605587
BS-3508
ethyl 3-amino-1,1-dioxo-1-benzothiophene-2-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 494.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 252.6±28.7 °C
    Index of Refraction: 1.617
    Molar Refractivity: 61.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.61
    ACD/KOC (pH 5.5): 69.16
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.61
    ACD/KOC (pH 7.4): 69.16
    Polar Surface Area: 95 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 176.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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