ChemSpider 2D Image | 2-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]amino}benzoic acid | C12H14N2O5S

2-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]amino}benzoic acid

  • Molecular FormulaC12H14N2O5S
  • Average mass298.315 Da
  • Monoisotopic mass298.062347 Da
  • ChemSpider ID29204093

More details:

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

2-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(1,1-dioxydotétrahydro-3-thiophényl)carbamoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]- [ACD/Index Name]
1306870-88-1 [RN]
2-({[(1,1-dioxidotetrahydrothien-3-yl)amino]carbonyl}amino)benzoic acid
2-(3-(1,1-dioxidotetrahydrothiophen-3-yl)ureido)benzoic acid
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
2-{[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]amino}benzoic acid
AGN-PC-0DRLW4
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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: 570.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 90.0±3.0 kJ/mol
    Flash Point: 298.6±30.1 °C
    Index of Refraction: 1.635
    Molar Refractivity: 70.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.14
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 72.8±5.0 dyne/cm
    Molar Volume: 196.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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