ChemSpider 2D Image | 1-{(1E)-3-[(4-Methylphenyl)sulfonyl]-1-propen-1-yl}-1H-pyrazole | C13H14N2O2S

1-{(1E)-3-[(4-Methylphenyl)sulfonyl]-1-propen-1-yl}-1H-pyrazole

  • Molecular FormulaC13H14N2O2S
  • Average mass262.328 Da
  • Monoisotopic mass262.077606 Da
  • ChemSpider ID30658691

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{(1E)-3-[(4-Methylphenyl)sulfonyl]-1-propen-1-yl}-1H-pyrazol [German] [ACD/IUPAC Name]
1-{(1E)-3-[(4-Methylphenyl)sulfonyl]-1-propen-1-yl}-1H-pyrazole [ACD/IUPAC Name]
1-{(1E)-3-[(4-Méthylphényl)sulfonyl]-1-propén-1-yl}-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-[(1E)-3-[(4-methylphenyl)sulfonyl]-1-propen-1-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.2±27.9 °C
Index of Refraction: 1.588
Molar Refractivity: 73.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.74
ACD/KOC (pH 5.5): 261.59
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.74
ACD/KOC (pH 7.4): 261.61
Polar Surface Area: 60 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

Click to predict properties on the Chemicalize site


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