ChemSpider 2D Image | 1,8-Bis(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,8-octanedione | C24H34N4O6S2

1,8-Bis(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,8-octanedione

  • Molecular FormulaC24H34N4O6S2
  • Average mass538.680 Da
  • Monoisotopic mass538.191956 Da
  • ChemSpider ID9975219

More details:

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

1,8-Bis(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,8-octandion [German] [ACD/IUPAC Name]
1,8-Bis(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,8-octanedione [ACD/IUPAC Name]
1,8-Bis(1,3-diéthyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-1,8-octanedione [French] [ACD/IUPAC Name]
1,8-Octanedione, 1,8-bis(1,3-diethyl-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 346.9±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 388.0±5.0 cm3

Click to predict properties on the Chemicalize site


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