ChemSpider 2D Image | 2,5-Dimethyl-4-(phenylsulfanyl)-1,2-dihydro-3H-pyrazol-3-one | C11H12N2OS

2,5-Dimethyl-4-(phenylsulfanyl)-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC11H12N2OS
  • Average mass220.291 Da
  • Monoisotopic mass220.067032 Da
  • ChemSpider ID30656531

More details:

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

2,5-Dimethyl-4-(phenylsulfanyl)-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
2,5-Dimethyl-4-(phenylsulfanyl)-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
2,5-Diméthyl-4-(phénylsulfanyl)-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-4-(phenylthio)- [ACD/Index 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: 323.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.1±30.7 °C
Index of Refraction: 1.653
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.94
ACD/KOC (pH 5.5): 153.31
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.94
ACD/KOC (pH 7.4): 153.35
Polar Surface Area: 58 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 172.0±5.0 cm3

Click to predict properties on the Chemicalize site


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