ChemSpider 2D Image | 1-(4-Bromophenyl)-3-(3,4-dimethylphenyl)-4-(isopropylsulfanyl)-1H-pyrrole-2,5-dione | C21H20BrNO2S

1-(4-Bromophenyl)-3-(3,4-dimethylphenyl)-4-(isopropylsulfanyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC21H20BrNO2S
  • Average mass430.358 Da
  • Monoisotopic mass429.039795 Da
  • ChemSpider ID32250132

More details:

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

1-(4-Bromophenyl)-3-(3,4-dimethylphenyl)-4-(isopropylsulfanyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-(4-Bromophényl)-3-(3,4-diméthylphényl)-4-(isopropylsulfanyl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-3-(3,4-dimethylphenyl)-4-(isopropylsulfanyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-(4-bromophenyl)-3-(3,4-dimethylphenyl)-4-[(1-methylethyl)thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6490.16
ACD/KOC (pH 5.5): 18638.20
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6490.16
ACD/KOC (pH 7.4): 18638.20
Polar Surface Area: 63 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

Click to predict properties on the Chemicalize site


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