ChemSpider 2D Image | 3-{[4-(1H-Imidazol-1-yl)benzyl]sulfanyl}-6-(trifluoromethyl)pyridazine | C15H11F3N4S

3-{[4-(1H-Imidazol-1-yl)benzyl]sulfanyl}-6-(trifluoromethyl)pyridazine

  • Molecular FormulaC15H11F3N4S
  • Average mass336.335 Da
  • Monoisotopic mass336.065643 Da
  • ChemSpider ID35194978

More details:

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

3-{[4-(1H-Imidazol-1-yl)benzyl]sulfanyl}-6-(trifluormethyl)pyridazin [German] [ACD/IUPAC Name]
3-{[4-(1H-Imidazol-1-yl)benzyl]sulfanyl}-6-(trifluoromethyl)pyridazine [ACD/IUPAC Name]
3-{[4-(1H-Imidazol-1-yl)benzyl]sulfanyl}-6-(trifluorométhyl)pyridazine [French] [ACD/IUPAC Name]
Pyridazine, 3-[[[4-(1H-imidazol-1-yl)phenyl]methyl]thio]-6-(trifluoromethyl)- [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: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 64.52
ACD/KOC (pH 5.5): 590.52
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.92
ACD/KOC (pH 7.4): 996.99
Polar Surface Area: 69 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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