ChemSpider 2D Image | DTP-348 | C6H11N5O4S

DTP-348

  • Molecular FormulaC6H11N5O4S
  • Average mass249.248 Da
  • Monoisotopic mass249.053177 Da
  • ChemSpider ID31147316

More details:

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

1383370-92-0 [RN]
2HB46A9CNM
Diamide N-[2-(2-méthyl-5-nitro-1H-imidazol-1-yl)éthyl]sulfurique [French] [ACD/IUPAC Name]
DTP-348
N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]schwefeldiamid [German] [ACD/IUPAC Name]
N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]- [ACD/Index Name]
1-(2-Sulfamidoethyl)-2-methyl-5-nitroimidazole
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide
2-methyl-5-nitro-1-[2-(sulfamoylamino)ethyl]imidazole
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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: 543.4±56.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 282.4±31.8 °C
    Index of Refraction: 1.696
    Molar Refractivity: 54.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.07
    ACD/LogD (pH 5.5): -0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.46
    ACD/LogD (pH 7.4): -0.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.47
    Polar Surface Area: 144 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 83.7±7.0 dyne/cm
    Molar Volume: 142.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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