ChemSpider 2D Image | 1,5-Dimethyl-4-{(Z)-[(5-methyl-2-thienyl)methylene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C17H17N3OS

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

  • Molecular FormulaC17H17N3OS
  • Average mass311.401 Da
  • Monoisotopic mass311.109222 Da
  • ChemSpider ID30655261

  • Double-bond stereo - Double-bond stereo

More details:

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

1,5-Dimethyl-4-{(Z)-[(5-methyl-2-thienyl)methylen]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
1,5-Dimethyl-4-{(Z)-[(5-methyl-2-thienyl)methylene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
1,5-Diméthyl-4-{(Z)-[(5-méthyl-2-thiényl)méthylène]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)-(5-methyl-2-thienyl)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: 444.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.4±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 23.67
ACD/KOC (pH 7.4): 237.00
Polar Surface Area: 64 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

Click to predict properties on the Chemicalize site


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