ChemSpider 2D Image | 2,2'-(1,3-Propanediyldisulfanediyl)bis[4-(4-pyridinyl)pyrimidine] | C21H18N6S2

2,2'-(1,3-Propanediyldisulfanediyl)bis[4-(4-pyridinyl)pyrimidine]

  • Molecular FormulaC21H18N6S2
  • Average mass418.538 Da
  • Monoisotopic mass418.103424 Da
  • ChemSpider ID21118002

More details:

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

2,2'-(1,3-Propanediyldisulfanediyl)bis[4-(4-pyridinyl)pyrimidine] [ACD/IUPAC Name]
2,2'-(1,3-Propanediyldisulfanediyl)bis[4-(4-pyridinyl)pyrimidine] [French] [ACD/IUPAC Name]
Pyrimidine, 2,2'-[1,3-propanediylbis(thio)]bis[4-(4-pyridinyl)- [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: 657.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 351.6±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.00
ACD/KOC (pH 5.5): 1083.93
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.01
ACD/KOC (pH 7.4): 1084.04
Polar Surface Area: 128 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 302.3±5.0 cm3

Click to predict properties on the Chemicalize site


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