ChemSpider 2D Image | 4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenolate | C27H29O5S

4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenolate

  • Molecular FormulaC27H29O5S
  • Average mass465.582 Da
  • Monoisotopic mass465.174103 Da
  • ChemSpider ID95740920

  • Charge - Charge

More details:

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

4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenolat [German] [ACD/IUPAC Name]
4-[3-(4-Hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenolate [ACD/IUPAC Name]
4-[3-(4-Hydroxy-5-isopropyl-2-méthylphényl)-1,1-dioxydo-3H-2,1-benzoxathiol-3-yl]-2-isopropyl-5-méthylphénolate [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24705.69
ACD/KOC (pH 5.5): 48488.25
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 20479.37
ACD/KOC (pH 7.4): 40193.52
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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