ChemSpider 2D Image | 2-mercaptoquinazoline-4-carboxylic acid | C9H6N2O2S

2-mercaptoquinazoline-4-carboxylic acid

  • Molecular FormulaC9H6N2O2S
  • Average mass206.221 Da
  • Monoisotopic mass206.014999 Da
  • ChemSpider ID27444538

More details:

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

1279814-98-0 [RN]
2-mercaptoquinazoline-4-carboxylic acid
2-Thioxo-1,2-dihydro-4-chinazolincarbonsäure [German] [ACD/IUPAC Name]
2-Thioxo-1,2-dihydro-4-quinazolinecarboxylic acid [ACD/IUPAC Name]
4-Quinazolinecarboxylic acid, 1,2-dihydro-2-thioxo- [ACD/Index Name]
Acide 2-thioxo-1,2-dihydro-4-quinazolinecarboxylique [French] [ACD/IUPAC Name]
2-sulfanylidene-1H-quinazoline-4-carboxylic acid
MFCD20277953 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 490.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 250.4±26.5 °C
    Index of Refraction: 1.756
    Molar Refractivity: 55.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 84.8±3.0 dyne/cm
    Molar Volume: 135.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement