ChemSpider 2D Image | N-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-4-methylbenzenesulfonamide | C12H16N4O2S2

N-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-4-methylbenzenesulfonamide

  • Molecular FormulaC12H16N4O2S2
  • Average mass312.411 Da
  • Monoisotopic mass312.071472 Da
  • ChemSpider ID23079652

More details:

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

Benzenesulfonamide, N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-methyl- [ACD/Index Name]
N-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[3-(5-Amino-1,3,4-thiadiazol-2-yl)propyl]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
1199216-00-6 [RN]
MFCD13248730 [MDL number]
N-(3-(5-amino-1,3,4-thiadiazol-2-yl)propyl)-4-methylbenzenesulfonamide
N-[3-(5-Amino-[1,3,4]thiadiazol-2-yl)-propyl]-4-methyl-benzenesulfonamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 536.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 278.3±32.9 °C
    Index of Refraction: 1.616
    Molar Refractivity: 79.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 5.47
    ACD/KOC (pH 5.5): 116.81
    ACD/LogD (pH 7.4): 1.28
    ACD/BCF (pH 7.4): 5.58
    ACD/KOC (pH 7.4): 119.15
    Polar Surface Area: 135 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 64.9±3.0 dyne/cm
    Molar Volume: 228.2±3.0 cm3

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