ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-propionyl-beta-alanine | C10H17NO5S

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alanine

  • Molecular FormulaC10H17NO5S
  • Average mass263.311 Da
  • Monoisotopic mass263.082733 Da
  • ChemSpider ID35513955

More details:

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

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alanin [German] [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-N-propionyl-β-alanine [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-3-thiophényl)-N-propionyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(1-oxopropyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
3-(N-(1,1-dioxidotetrahydrothiophen-3-yl)propionamido)propanoic acid
MFCD28398487
N-(1,1-dioxidotetrahydro-3-thienyl)-N-propionyl-b-alanine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 557.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 91.8±6.0 kJ/mol
    Flash Point: 291.0±30.1 °C
    Index of Refraction: 1.539
    Molar Refractivity: 60.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.52
    ACD/LogD (pH 5.5): -2.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 56.8±5.0 dyne/cm
    Molar Volume: 193.9±5.0 cm3

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