ChemSpider 2D Image | 2-{(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)[(4Z)-3-bromo-5-isopropyl-2-methyl-4-oxonio-2,5-cyclohexadien-1-ylidene]methyl}benzenesulfonate | C27H28Br2O5S

2-{(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)[(4Z)-3-bromo-5-isopropyl-2-methyl-4-oxonio-2,5-cyclohexadien-1-ylidene]methyl}benzenesulfonate

  • Molecular FormulaC27H28Br2O5S
  • Average mass624.381 Da
  • Monoisotopic mass622.002380 Da
  • ChemSpider ID8092795

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(Z)-(3-Brom-4-hydroxy-5-isopropyl-2-methylphenyl)[(4Z)-3-brom-5-isopropyl-2-methyl-4-oxonio-2,5-cyclohexadien-1-yliden]methyl}benzolsulfonat [German] [ACD/IUPAC Name]
2-{(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)[(4Z)-3-bromo-5-isopropyl-2-methyl-4-oxonio-2,5-cyclohexadien-1-ylidene]methyl}benzenesulfonate [ACD/IUPAC Name]
2-{(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-méthylphényl)[(4Z)-3-bromo-5-isopropyl-2-méthyl-4-oxonio-2,5-cyclohexadién-1-ylidène]méthyl}benzènesulfonate [French] [ACD/IUPAC Name]
Oxonium, [(4Z)-2-bromo-4-[[3-bromo-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl](2-sulfophenyl)methylene]-3-methyl-6-(1-methylethyl)-2,5-cyclohexadien-1-ylidene]-, inner salt, (Z)- [ACD/Index Name]
Bromothymol blue [Wiki]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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