ChemSpider 2D Image | 7-Bromo-4H-1,3-benzodioxine-2-thione | C8H5BrO2S

7-Bromo-4H-1,3-benzodioxine-2-thione

  • Molecular FormulaC8H5BrO2S
  • Average mass245.093 Da
  • Monoisotopic mass243.919357 Da
  • ChemSpider ID45498824

More details:

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

4H-1,3-Benzodioxin-2-thione, 7-bromo- [ACD/Index Name]
7-Brom-4H-1,3-benzodioxin-2-thion [German] [ACD/IUPAC Name]
7-Bromo-4H-1,3-benzodioxine-2-thione [ACD/IUPAC Name]
7-Bromo-4H-1,3-benzodioxine-2-thione [French] [ACD/IUPAC Name]
1784308-63-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 284.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 126.0±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 52.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.11
ACD/KOC (pH 5.5): 1626.78
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.11
ACD/KOC (pH 7.4): 1626.78
Polar Surface Area: 51 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 134.6±5.0 cm3

Click to predict properties on the Chemicalize site


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