ChemSpider 2D Image | 5-[4-(Methylsulfonyl)benzyl]-1,3,4-oxadiazol-2-amine | C10H11N3O3S

5-[4-(Methylsulfonyl)benzyl]-1,3,4-oxadiazol-2-amine

  • Molecular FormulaC10H11N3O3S
  • Average mass253.278 Da
  • Monoisotopic mass253.052109 Da
  • ChemSpider ID26565024

More details:

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

1,3,4-Oxadiazol-2-amine, 5-[[4-(methylsulfonyl)phenyl]methyl]- [ACD/Index Name]
1257553-09-5 [RN]
5-[(4-methanesulfonylphenyl)methyl]-1,3,4-oxadiazol-2-amine
5-[4-(Methylsulfonyl)benzyl]-1,3,4-oxadiazol-2-amin [German] [ACD/IUPAC Name]
5-[4-(Methylsulfonyl)benzyl]-1,3,4-oxadiazol-2-amine [ACD/IUPAC Name]
5-[4-(Méthylsulfonyl)benzyl]-1,3,4-oxadiazol-2-amine [French] [ACD/IUPAC Name]
5-(4-(methylsulfonyl)benzyl)-1,3,4-oxadiazol-2-amine
5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-amine
AKOS024627498
F2145-0292
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 527.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 272.8±32.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 61.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.77
    ACD/LogD (pH 5.5): -0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.33
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.33
    Polar Surface Area: 107 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 61.3±3.0 dyne/cm
    Molar Volume: 182.1±3.0 cm3

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