ChemSpider 2D Image | 2-(6-Bromo-1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one | C35H33BrN4O2S

2-(6-Bromo-1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one

  • Molecular FormulaC35H33BrN4O2S
  • Average mass653.631 Da
  • Monoisotopic mass652.150757 Da
  • ChemSpider ID30659446

More details:

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

2-(6-Brom-1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-on [German] [ACD/IUPAC Name]
2-(6-Bromo-1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one [ACD/IUPAC Name]
2-(6-Bromo-1,3-benzothiazol-2-yl)-3',6'-bis(diéthylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one [French] [ACD/IUPAC Name]
Spiro[1H-isoindole-1,9'-[9H]xanthen]-3(2H)-one, 2-(6-bromo-2-benzothiazolyl)-3',6'-bis(diethylamino)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 767.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±35.7 °C
Index of Refraction: 1.738
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 312555.69
ACD/KOC (pH 5.5): 204186.55
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 751683.81
Polar Surface Area: 77 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

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