ChemSpider 2D Image | Difethialone | C31H23BrO2S


  • Molecular FormulaC31H23BrO2S
  • Average mass539.482 Da
  • Monoisotopic mass538.060181 Da
  • ChemSpider ID10469311

More details:

Featured data source

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

Difethialone [ISO] [REDIRECT]
104653-34-1 [RN]
2H-1-Benzothiopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy- [ACD/Index Name]
3-[3-(4'-Brom-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-4-hydroxy-2H-thiochromen-2-on [German] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphénylyl)-1,2,3,4-tétrahydro-1-naphtalényl]-4-hydroxy-2H-thiochromén-2-one [French] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-thiochromen-2-one [ACD/IUPAC Name]

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

754S760DSQ [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 170988.69
ACD/KOC (pH 5.5): 98118.24
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 2949.61
ACD/KOC (pH 7.4): 1692.57
Polar Surface Area: 63 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site

Feedback Form