ChemSpider 2D Image | 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-diiodophenol) | C19H10I4O5S

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-diiodophenol)

  • Molecular FormulaC19H10I4O5S
  • Average mass857.963 Da
  • Monoisotopic mass857.642761 Da
  • ChemSpider ID24590007

More details:

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

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(3,5-diiodphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-diiodophenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(3,5-diiodophénol) [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3,5-diiodo- [ACD/Index Name]
3',3'',5',5''-Tetraiodophenolsulfonphthalein
4-[3-(4-hydroxy-2,6-diiodophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3,5-diiodophenol
4430-24-4 [RN]
MFCD00010405 [MDL number]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 782.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 426.8±32.9 °C
Index of Refraction: 1.830
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 163774.14
ACD/KOC (pH 5.5): 169114.52
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 990.71
ACD/KOC (pH 7.4): 1023.02
Polar Surface Area: 92 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 328.1±3.0 cm3

Click to predict properties on the Chemicalize site


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