ChemSpider 2D Image | 2-[2-(1H-1,2,4-Triazol-3-ylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione | C12H10N4O4S

2-[2-(1H-1,2,4-Triazol-3-ylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC12H10N4O4S
  • Average mass306.297 Da
  • Monoisotopic mass306.042267 Da
  • ChemSpider ID21862133

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-1,2,4-triazol-3-ylsulfonyl)ethyl]- [ACD/Index Name]
2-[2-(1H-1,2,4-Triazol-3-ylsulfonyl)ethyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(1H-1,2,4-Triazol-3-ylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[2-(1H-1,2,4-Triazol-3-ylsulfonyl)éthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1071366-77-2 [RN]
2-[2-(1H-[1,2,4]Triazole-3-sulfonyl)-ethyl]-isoindole-1,3-dione
2-[2-(1H-1,2,4-triazol-5-ylsulfonyl)ethyl]isoindole-1,3-dione

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 585.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±3.0 kJ/mol
    Flash Point: 307.6±30.7 °C
    Index of Refraction: 1.658
    Molar Refractivity: 70.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.31
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.47
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.32
    Polar Surface Area: 121 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 82.1±3.0 dyne/cm
    Molar Volume: 191.1±3.0 cm3

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