ChemSpider 2D Image | Thieno[3,2-d]pyrimidine-4-carboxylic acid | C7H4N2O2S

Thieno[3,2-d]pyrimidine-4-carboxylic acid

  • Molecular FormulaC7H4N2O2S
  • Average mass180.184 Da
  • Monoisotopic mass179.999344 Da
  • ChemSpider ID26231927

More details:

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

1029144-49-7 [RN]
14505588 [Beilstein]
890-329-3 [EINECS]
Acide thiéno[3,2-d]pyrimidine-4-carboxylique [French] [ACD/IUPAC Name]
T56 BS FN HNJ IVQ [WLN]
Thieno[3,2-d]pyrimidin-4-carbonsäure [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-4-carboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
[1029144-49-7] [RN]
57415848 [PubChem CID]
DTXSID60725540 [CompTox]
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 413.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±3.0 kJ/mol
    Flash Point: 203.6±23.2 °C
    Index of Refraction: 1.749
    Molar Refractivity: 45.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): -1.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 89.7±3.0 dyne/cm
    Molar Volume: 112.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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