ChemSpider 2D Image | 2-{[1-(2,4-Dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-4-(trifluoromethyl)pyrimidine | C16H13F3N4S

2-{[1-(2,4-Dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-4-(trifluoromethyl)pyrimidine

  • Molecular FormulaC16H13F3N4S
  • Average mass350.361 Da
  • Monoisotopic mass350.081299 Da
  • ChemSpider ID30051211

More details:

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

2-{[1-(2,4-Dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-4-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
2-{[1-(2,4-Dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-4-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
2-{[1-(2,4-Diméthylphényl)-1H-imidazol-2-yl]sulfanyl}-4-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[[1-(2,4-dimethylphenyl)-1H-imidazol-2-yl]thio]-4-(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: 517.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.77
ACD/KOC (pH 5.5): 1635.76
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.77
ACD/KOC (pH 7.4): 1635.77
Polar Surface Area: 69 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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