ChemSpider 2D Image | 5-Amino-4-(3,5-difluoro-2,4-dihydroxyphenyl)-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione | C12H9F2N5O2S

5-Amino-4-(3,5-difluoro-2,4-dihydroxyphenyl)-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione

  • Molecular FormulaC12H9F2N5O2S
  • Average mass325.294 Da
  • Monoisotopic mass325.044495 Da
  • ChemSpider ID102583730

More details:

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

5-Amino-4-(3,5-difluor-2,4-dihydroxyphenyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-thion [German] [ACD/IUPAC Name]
5-Amino-4-(3,5-difluoro-2,4-dihydroxyphenyl)-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione [ACD/IUPAC Name]
5-Amino-4-(3,5-difluoro-2,4-dihydroxyphényl)-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione [French] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidine-2(1H)-thione, 5-amino-4-(3,5-difluoro-2,4-dihydroxyphenyl)-3,4-dihydro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 419.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 207.3±31.5 °C
Index of Refraction: 1.797
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 106.11
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 22.73
Polar Surface Area: 148 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 123.9±5.0 dyne/cm
Molar Volume: 177.3±5.0 cm3

Click to predict properties on the Chemicalize site


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