ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-beta-alanine | C8H14N2O5S

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-β-alanine

  • Molecular FormulaC8H14N2O5S
  • Average mass250.272 Da
  • Monoisotopic mass250.062347 Da
  • ChemSpider ID25557469

More details:

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

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-β-alanine [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)carbamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]- [ACD/Index Name]
1018300-47-4 [RN]
3-(3-(1,1-dioxidotetrahydrothiophen-3-yl)ureido)propanoic acid
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanoic acid
AGN-PC-09MP5O
AKOS010428757
MCULE-2216496914
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 670.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±6.0 kJ/mol
    Flash Point: 359.5±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 54.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -2.32
    ACD/LogD (pH 5.5): -3.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 64.7±5.0 dyne/cm
    Molar Volume: 170.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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