ChemSpider 2D Image | 3',6'-Bis(diethylamino)-3H-spiro[2-benzothiophene-1,9'-xanthene]-3-thione | C28H30N2OS2

3',6'-Bis(diethylamino)-3H-spiro[2-benzothiophene-1,9'-xanthene]-3-thione

  • Molecular FormulaC28H30N2OS2
  • Average mass474.681 Da
  • Monoisotopic mass474.179962 Da
  • ChemSpider ID24740867

More details:

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

3',6'-Bis(diethylamino)-3H-spiro[2-benzothiophene-1,9'-xanthene]-3-thion [German] [ACD/IUPAC Name]
3',6'-Bis(diethylamino)-3H-spiro[2-benzothiophene-1,9'-xanthene]-3-thione [ACD/IUPAC Name]
3',6'-Bis(diéthylamino)-3H-spiro[2-benzothiophene-1,9'-xanthene]-3-thione [French] [ACD/IUPAC Name]
Spiro[benzo[c]thiophene-1(3H),9'-[9H]xanthene]-3-thione, 3',6'-bis(diethylamino)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.6±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 100764.89
ACD/KOC (pH 5.5): 115386.82
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 163609.14
ACD/KOC (pH 7.4): 187350.36
Polar Surface Area: 73 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 370.5±5.0 cm3

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