ChemSpider 2D Image | 4-(Isopropylsulfonyl)-1H-imidazole | C6H10N2O2S

4-(Isopropylsulfonyl)-1H-imidazole

  • Molecular FormulaC6H10N2O2S
  • Average mass174.221 Da
  • Monoisotopic mass174.046295 Da
  • ChemSpider ID26518587

More details:






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

1215198-01-8 [RN]
1H-Imidazole, 4-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
4-(Isopropylsulfonyl)-1H-imidazol [German] [ACD/IUPAC Name]
4-(Isopropylsulfonyl)-1H-imidazole [ACD/IUPAC Name]
4-(Isopropylsulfonyl)-1H-imidazole [French] [ACD/IUPAC Name]
5-(propane-2-sulfonyl)-1H-imidazole
5-(isopropylsulfonyl)-1h-imidazole
atoms 11 bonds 11
MFCD20687536

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 452.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 227.2±23.7 °C
    Index of Refraction: 1.517
    Molar Refractivity: 41.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.00
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.35
    ACD/KOC (pH 5.5): 43.15
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.32
    ACD/KOC (pH 7.4): 42.07
    Polar Surface Area: 71 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 136.1±3.0 cm3

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