ChemSpider 2D Image | 1-(4-Methylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethanone | C20H15F3N2OS

1-(4-Methylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethanone

  • Molecular FormulaC20H15F3N2OS
  • Average mass388.406 Da
  • Monoisotopic mass388.085724 Da
  • ChemSpider ID30790139

More details:

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

1-(4-Methylphenyl)-2-{[4-phenyl-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-(4-Methylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethanone [ACD/IUPAC Name]
1-(4-Méthylphényl)-2-{[4-phényl-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(4-methylphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]- [ACD/Index Name]
1-(4-methylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(4-methylphenyl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone
1798679-67-0 [RN]
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-p-tolyl-ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6953.90
ACD/KOC (pH 5.5): 19582.05
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6953.90
ACD/KOC (pH 7.4): 19582.05
Polar Surface Area: 68 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 286.0±5.0 cm3

Click to predict properties on the Chemicalize site


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