ChemSpider 2D Image | 2-(Benzylsulfanyl)-4-pentyl-6-(phenylsulfanyl)-5-pyrimidinecarbonitrile | C23H23N3S2

2-(Benzylsulfanyl)-4-pentyl-6-(phenylsulfanyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC23H23N3S2
  • Average mass405.579 Da
  • Monoisotopic mass405.133331 Da
  • ChemSpider ID30657133

More details:

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

2-(Benzylsulfanyl)-4-pentyl-6-(phenylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-4-pentyl-6-(phenylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-(Benzylsulfanyl)-4-pentyl-6-(phénylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-pentyl-2-[(phenylmethyl)thio]-6-(phenylthio)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.7±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 388318.94
ACD/KOC (pH 5.5): 348589.31
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 388319.38
ACD/KOC (pH 7.4): 348589.69
Polar Surface Area: 100 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 329.7±5.0 cm3

Click to predict properties on the Chemicalize site


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