ChemSpider 2D Image | 3,6-Diamino-4-(2-methylphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile | C16H11N5S

3,6-Diamino-4-(2-methylphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile

  • Molecular FormulaC16H11N5S
  • Average mass305.357 Da
  • Monoisotopic mass305.073517 Da
  • ChemSpider ID29396744

More details:

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

3,6-Diamino-4-(2-methylphenyl)thieno[2,3-b]pyridin-2,5-dicarbonitril [German] [ACD/IUPAC Name]
3,6-Diamino-4-(2-methylphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile [ACD/IUPAC Name]
3,6-Diamino-4-(2-méthylphényl)thiéno[2,3-b]pyridine-2,5-dicarbonitrile [French] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-2,5-dicarbonitrile, 3,6-diamino-4-(2-methylphenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.761
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.42
ACD/KOC (pH 5.5): 674.31
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.86
ACD/KOC (pH 7.4): 689.59
Polar Surface Area: 141 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 208.6±5.0 cm3

Click to predict properties on the Chemicalize site


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