ChemSpider 2D Image | N-Benzyl-3-(methylsulfonyl)-1H-1,2,4-triazol-5-amine | C10H12N4O2S

N-Benzyl-3-(methylsulfonyl)-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC10H12N4O2S
  • Average mass252.293 Da
  • Monoisotopic mass252.068100 Da
  • ChemSpider ID21470324

More details:

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

1H-1,2,4-Triazol-5-amine, 3-(methylsulfonyl)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-(methylsulfonyl)-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
N-Benzyl-3-(methylsulfonyl)-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
N-Benzyl-3-(méthylsulfonyl)-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
1020966-14-6 [RN]
atoms 17 bonds 18
benzyl (5-methanesulfonyl-2h-[1,2,4]triazol-3-yl)amine
benzyl (5-methanesulfonyl-2h-[1,2,4]triazol-3-yl)-amine
Benzyl-(5-methanesulfonyl-2H-[1,2,4]triazol-3-yl)amine
BENZYL-(5-METHANESULFONYL-2H-[1,2,4]TRIAZOL-3-YL)-AMINE
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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: 505.5±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 259.5±28.2 °C
    Index of Refraction: 1.630
    Molar Refractivity: 62.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 5.10
    ACD/KOC (pH 5.5): 111.63
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 4.34
    ACD/KOC (pH 7.4): 94.92
    Polar Surface Area: 96 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 73.8±3.0 dyne/cm
    Molar Volume: 176.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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