ChemSpider 2D Image | 3-[3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-thiochromene-2,4(3H)-dione | C31H23BrO2S

3-[3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-thiochromene-2,4(3H)-dione

  • Molecular FormulaC31H23BrO2S
  • Average mass539.482 Da
  • Monoisotopic mass538.060181 Da
  • ChemSpider ID8004433

More details:

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

2H-1-Benzothiopyran-2,4(3H)-dione, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]- [ACD/Index Name]
3-[3-(4'-Brom-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-2H-thiochromen-2,4(3H)-dion [German] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphénylyl)-1,2,3,4-tétrahydro-1-naphtalényl]-2H-thiochromène-2,4(3H)-dione [French] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-thiochromene-2,4(3H)-dione [ACD/IUPAC 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: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.3±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 709527.63
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 896978.75
ACD/KOC (pH 7.4): 606708.31
Polar Surface Area: 59 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 384.3±3.0 cm3

Click to predict properties on the Chemicalize site


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