ChemSpider 2D Image | 4-[(4-Chlorophenyl)sulfanyl]-1-{(E)-2-[(4-chlorophenyl)sulfanyl]-1-phenylvinyl}-3-phenyl-1H-pyrazole | C29H20Cl2N2S2

4-[(4-Chlorophenyl)sulfanyl]-1-{(E)-2-[(4-chlorophenyl)sulfanyl]-1-phenylvinyl}-3-phenyl-1H-pyrazole

  • Molecular FormulaC29H20Cl2N2S2
  • Average mass531.518 Da
  • Monoisotopic mass530.044495 Da
  • ChemSpider ID24740869

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole, 4-[(4-chlorophenyl)thio]-1-[(E)-2-[(4-chlorophenyl)thio]-1-phenylethenyl]-3-phenyl- [ACD/Index Name]
4-[(4-Chlorophenyl)sulfanyl]-1-{(E)-2-[(4-chlorophenyl)sulfanyl]-1-phenylvinyl}-3-phenyl-1H-pyrazole [ACD/IUPAC Name]
4-[(4-Chlorophényl)sulfanyl]-1-{(E)-2-[(4-chlorophényl)sulfanyl]-1-phénylvinyl}-3-phényl-1H-pyrazole [French] [ACD/IUPAC Name]
4-[(4-Chlorphenyl)sulfanyl]-1-{(E)-2-[(4-chlorphenyl)sulfanyl]-1-phenylvinyl}-3-phenyl-1H-pyrazol [German] [ACD/IUPAC 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: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 8.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1859437.25
ACD/LogD (pH 7.4): 8.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1859439.25
Polar Surface Area: 68 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 419.5±7.0 cm3

Click to predict properties on the Chemicalize site


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