ChemSpider 2D Image | 3-{4-(2-Methylphenyl)-5-[(2,2,2-trifluoroethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine | C16H13F3N4S

3-{4-(2-Methylphenyl)-5-[(2,2,2-trifluoroethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine

  • Molecular FormulaC16H13F3N4S
  • Average mass350.361 Da
  • Monoisotopic mass350.081299 Da
  • ChemSpider ID22395997

More details:

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

3-{4-(2-Methylphenyl)-5-[(2,2,2-trifluorethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridin [German] [ACD/IUPAC Name]
3-{4-(2-Methylphenyl)-5-[(2,2,2-trifluoroethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine [ACD/IUPAC Name]
3-{4-(2-Méthylphényl)-5-[(2,2,2-trifluoroéthyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[4-(2-methylphenyl)-5-[(2,2,2-trifluoroethyl)thio]-4H-1,2,4-triazol-3-yl]- [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: 498.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.5±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 89.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.61
ACD/KOC (pH 5.5): 3654.64
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 667.05
ACD/KOC (pH 7.4): 3657.09
Polar Surface Area: 69 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 257.3±7.0 cm3

Click to predict properties on the Chemicalize site


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