ChemSpider 2D Image | 1,5-Dimethyl-4-{(Z)-[2-(methylsulfanyl)benzylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C19H19N3OS

1,5-Dimethyl-4-{(Z)-[2-(methylsulfanyl)benzylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC19H19N3OS
  • Average mass337.439 Da
  • Monoisotopic mass337.124878 Da
  • ChemSpider ID30655236

  • Double-bond stereo - Double-bond stereo

More details:

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

1,5-Dimethyl-4-{(Z)-[2-(methylsulfanyl)benzyliden]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
1,5-Dimethyl-4-{(Z)-[2-(methylsulfanyl)benzylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
1,5-Diméthyl-4-{(Z)-[2-(méthylsulfanyl)benzylidène]amino}-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[(1Z)-[2-(methylthio)phenyl]methylene]amino]-2-phenyl- [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: 469.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 25.72
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 64.67
ACD/KOC (pH 7.4): 576.23
Polar Surface Area: 61 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 288.4±7.0 cm3

Click to predict properties on the Chemicalize site


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