ChemSpider 2D Image | 5-Amino-4-{3-[(trifluoromethyl)sulfonyl]phenyl}-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione | C13H10F3N5O2S2

5-Amino-4-{3-[(trifluoromethyl)sulfonyl]phenyl}-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione

  • Molecular FormulaC13H10F3N5O2S2
  • Average mass389.376 Da
  • Monoisotopic mass389.022797 Da
  • ChemSpider ID102585018

More details:

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

5-Amino-4-{3-[(trifluormethyl)sulfonyl]phenyl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-thion [German] [ACD/IUPAC Name]
5-Amino-4-{3-[(trifluoromethyl)sulfonyl]phenyl}-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione [ACD/IUPAC Name]
5-Amino-4-{3-[(trifluorométhyl)sulfonyl]phényl}-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione [French] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidine-2(1H)-thione, 5-amino-3,4-dihydro-4-[3-[(trifluoromethyl)sulfonyl]phenyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 515.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.7±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 54.69
ACD/KOC (pH 5.5): 595.61
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.21
ACD/KOC (pH 7.4): 644.93
Polar Surface Area: 150 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 224.8±5.0 cm3

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