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ChemSpider 2D Image | N-[3-(Methylsulfanyl)phenyl]-N-(methylsulfonyl)glycine | C10H13NO4S2

N-[3-(Methylsulfanyl)phenyl]-N-(methylsulfonyl)glycine

  • Molecular FormulaC10H13NO4S2
  • Average mass275.345 Da
  • Monoisotopic mass275.028595 Da
  • ChemSpider ID35227313

More details:

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

Glycine, N-(methylsulfonyl)-N-[3-(methylthio)phenyl]- [ACD/Index Name]
N-[3-(Methylsulfanyl)phenyl]-N-(methylsulfonyl)glycin [German] [ACD/IUPAC Name]
N-[3-(Methylsulfanyl)phenyl]-N-(methylsulfonyl)glycine [ACD/IUPAC Name]
N-[3-(Méthylsulfanyl)phényl]-N-(méthylsulfonyl)glycine [French] [ACD/IUPAC Name]
1858251-81-6 [RN]
2-(N-(3-(methylthio)phenyl)methylsulfonamido)acetic acid
glycine, N-(methylsulfonyl)-N-[3-(methylthio)phenyl]
MFCD28954488
N-(methylsulfonyl)-N-[3-(methylthio)phenyl]glycine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 485.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±3.0 kJ/mol
    Flash Point: 247.6±31.5 °C
    Index of Refraction: 1.629
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -1.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 108 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 66.0±5.0 dyne/cm
    Molar Volume: 190.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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