ChemSpider 2D Image | 2-{[3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic acid | C14H9F3N2O2S2

2-{[3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic acid

  • Molecular FormulaC14H9F3N2O2S2
  • Average mass358.359 Da
  • Monoisotopic mass358.005737 Da
  • ChemSpider ID25077555

More details:

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

2-{[3-Cyan-6-(2-thienyl)-4-(trifluormethyl)-2-pyridinyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
2-{[3-Cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
Acide 2-{[3-cyano-6-(2-thiényl)-4-(trifluorométhyl)-2-pyridinyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.78
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 232.2±5.0 cm3

Click to predict properties on the Chemicalize site


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