ChemSpider 2D Image | 4-[(4-Oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid | C14H10N2O3S2

4-[(4-Oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid

  • Molecular FormulaC14H10N2O3S2
  • Average mass318.371 Da
  • Monoisotopic mass318.013275 Da
  • ChemSpider ID27318917

More details:

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

4-[(4-Oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-Oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4-oxo-2-thioxo-1,4-dihydrothiéno[3,2-d]pyrimidin-3(2H)-yl)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1,4-dihydro-4-oxo-2-thioxothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]- [ACD/Index Name]
[728039-55-2] [RN]
4-((4-oxo-2-thioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzoic acid
4-({4-oxo-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)benzoic acid
4-(4-Oxo-2-thioxo-1,4-dihydro-2H-thieno[3,2-d]pyrimidin-3-ylmethyl)-benzoic acid
4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid
728039-55-2 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 561.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 293.2±32.9 °C
    Index of Refraction: 1.777
    Molar Refractivity: 82.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 4.57
    ACD/KOC (pH 5.5): 43.46
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.21
    Polar Surface Area: 130 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 96.7±5.0 dyne/cm
    Molar Volume: 197.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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