ChemSpider 2D Image | 5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide | C17H16FN3S

5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

  • Molecular FormulaC17H16FN3S
  • Average mass313.392 Da
  • Monoisotopic mass313.104889 Da
  • ChemSpider ID24660575

More details:

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

1H-Pyrazole-1-carbothioamide, 5-(4-fluorophenyl)-4,5-dihydro-3-(4-methylphenyl)- [ACD/Index Name]
5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [ACD/IUPAC Name]
5-(4-Fluorophényl)-3-(4-méthylphényl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-carbothioamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.4±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 89.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.66
ACD/KOC (pH 5.5): 725.78
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.66
ACD/KOC (pH 7.4): 725.81
Polar Surface Area: 74 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 243.7±7.0 cm3

Click to predict properties on the Chemicalize site


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