ChemSpider 2D Image | Bromothymol blue | C27H28Br2O5S

Bromothymol blue

  • Molecular FormulaC27H28Br2O5S
  • Average mass624.381 Da
  • Monoisotopic mass622.002380 Da
  • ChemSpider ID21241489

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(2-brom-3-isopropyl-6-methylphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-3-isopropyl-6-methylphenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-3-isopropyl-6-méthylphénol) [French] [ACD/IUPAC Name]
Bromothymol blue [Wiki]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-3-(1-methylethyl)- [ACD/Index Name]
200-971-2 [EINECS]
3,3-bis[3-bromo-4-hydroxy-5-methyl-2-(methylethyl)phenyl]benzo[c]1,2-oxathiolene-1,1-dione
BromothymolBlue
MFCD00005872 [MDL number]

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 591584.81
ACD/KOC (pH 5.5): 453484.88
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 18623.43
ACD/KOC (pH 7.4): 14275.96
Polar Surface Area: 92 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

Click to predict properties on the Chemicalize site


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