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Search term: VSVAQRUUFVBBFS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Difethialone | C31H23BrO2S

Difethialone

  • Molecular FormulaC31H23BrO2S
  • Average mass539.482 Da
  • Monoisotopic mass538.060181 Da
  • ChemSpider ID82868

More details:

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

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

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

HSDB 7119 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.7±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: 9.07
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 109858.09
ACD/KOC (pH 5.5): 71486.05
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 1895.09
ACD/KOC (pH 7.4): 1233.16
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

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