ChemSpider 2D Image | Bromothymol blue | C27H28Br2O5S

Bromothymol blue

  • Molecular FormulaC27H28Br2O5S
  • Average mass624.381 Da
  • Monoisotopic mass622.002380 Da
  • ChemSpider ID6208

More details:

Featured data source

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

200-971-2 [EINECS]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(2-brom-6-isopropyl-3-methylphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-isopropyl-3-methylphenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-isopropyl-3-méthylphénol) [French] [ACD/IUPAC Name]
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)phenol] S,S-Dioxide
76-59-5 [RN]
a,a-Bis(6-bromo-5-hydroxycarvacryl)-a-hydroxy-o-toluenesulfonic Acid g-Sultone
Bromothymol blue [Wiki]

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

114413_SIAL [DBID]
AE-641/32252005 [DBID]
AIDS124035 [DBID]
AIDS-124035 [DBID]
BRN 0373934 [DBID]
e2 [DBID]
NSC 7819 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 325.3±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): 7.90
ACD/BCF (pH 5.5): 575174.94
ACD/KOC (pH 5.5): 440905.75
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 13411.26
ACD/KOC (pH 7.4): 10280.53
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

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