ChemSpider 2D Image | 3-[(Methylsulfonyl)methyl]-2-nitrothiophene | C6H7NO4S2

3-[(Methylsulfonyl)methyl]-2-nitrothiophene

  • Molecular FormulaC6H7NO4S2
  • Average mass221.254 Da
  • Monoisotopic mass220.981644 Da
  • ChemSpider ID35500109

More details:

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

3-[(Methylsulfonyl)methyl]-2-nitrothiophen [German] [ACD/IUPAC Name]
3-[(Methylsulfonyl)methyl]-2-nitrothiophene [ACD/IUPAC Name]
3-[(Méthylsulfonyl)méthyl]-2-nitrothiophène [French] [ACD/IUPAC Name]
Thiophene, 3-[(methylsulfonyl)methyl]-2-nitro- [ACD/Index Name]
1708445-01-5 [RN]
3-((Methylsulfonyl)methyl)-2-nitrothiophene
3-(methylsulfonylmethyl)-2-nitrothiophene
3-Methanesulfonylmethyl-2-nitro-thiophene
MFCD27975292

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 449.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 225.4±25.9 °C
    Index of Refraction: 1.593
    Molar Refractivity: 49.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.12
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.40
    ACD/KOC (pH 5.5): 44.24
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.40
    ACD/KOC (pH 7.4): 44.24
    Polar Surface Area: 117 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 144.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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