ChemSpider 2D Image | 5-Chloro-N-[(2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide | C20H19ClN4OS

5-Chloro-N-[(2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC20H19ClN4OS
  • Average mass398.909 Da
  • Monoisotopic mass398.096802 Da
  • ChemSpider ID21119514

More details:

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

1H-Pyrazole-4-carboxamide, 5-chloro-N-[[(2,6-dimethylphenyl)amino]thioxomethyl]-3-methyl-1-phenyl- [ACD/Index Name]
5-Chlor-N-[(2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-phenyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-[(2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Chloro-N-[(2,6-diméthylphényl)carbamothioyl]-3-méthyl-1-phényl-1H-pyrazole-4-carboxamide [French] [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: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 4.45
Polar Surface Area: 102 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site


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