ChemSpider 2D Image | 4-(Cyclohexylsulfanyl)-1-[(E)-2-(cyclohexylsulfanyl)-1-phenylvinyl]-3-phenyl-1H-pyrazole | C29H34N2S2

4-(Cyclohexylsulfanyl)-1-[(E)-2-(cyclohexylsulfanyl)-1-phenylvinyl]-3-phenyl-1H-pyrazole

  • Molecular FormulaC29H34N2S2
  • Average mass474.724 Da
  • Monoisotopic mass474.216339 Da
  • ChemSpider ID24740952

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole, 4-(cyclohexylthio)-1-[(E)-2-(cyclohexylthio)-1-phenylethenyl]-3-phenyl- [ACD/Index Name]
4-(Cyclohexylsulfanyl)-1-[(E)-2-(cyclohexylsulfanyl)-1-phenylvinyl]-3-phenyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-(Cyclohexylsulfanyl)-1-[(E)-2-(cyclohexylsulfanyl)-1-phenylvinyl]-3-phenyl-1H-pyrazole [ACD/IUPAC Name]
4-(Cyclohexylsulfanyl)-1-[(E)-2-(cyclohexylsulfanyl)-1-phénylvinyl]-3-phényl-1H-pyrazole [French] [ACD/IUPAC 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: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.17
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 977606.94
ACD/KOC (pH 5.5): 675037.75
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 977608.00
ACD/KOC (pH 7.4): 675038.50
Polar Surface Area: 68 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

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