ChemSpider 2D Image | 3,4-Diphenyl-4,4a,5,6,7,8-hexahydro-8aH-thiochromene-8a-thiol | C21H22S2

3,4-Diphenyl-4,4a,5,6,7,8-hexahydro-8aH-thiochromene-8a-thiol

  • Molecular FormulaC21H22S2
  • Average mass338.529 Da
  • Monoisotopic mass338.116302 Da
  • ChemSpider ID57302915

More details:

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

3,4-Diphenyl-4,4a,5,6,7,8-hexahydro-8aH-thiochromen-8a-thiol [German] [ACD/IUPAC Name]
3,4-Diphenyl-4,4a,5,6,7,8-hexahydro-8aH-thiochromene-8a-thiol [ACD/IUPAC Name]
3,4-Diphényl-4,4a,5,6,7,8-hexahydro-8aH-thiochromène-8a-thiol [French] [ACD/IUPAC Name]
8aH-1-Benzothiopyran-8a-thiol, 4,4a,5,6,7,8-hexahydro-3,4-diphenyl- [ACD/Index Name]
3,4-DIPHENYL-4,4A,5,6,7,8-HEXAHYDROTHIOCHROMENE-8A-THIOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 245.4±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79105.85
ACD/KOC (pH 5.5): 111607.59
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77917.91
ACD/KOC (pH 7.4): 109931.57
Polar Surface Area: 64 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 282.8±5.0 cm3

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