ChemSpider 2D Image | 4-[3-(4-Hydroxy-3-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-2-methylphenolate | C21H17O5S

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

  • Molecular FormulaC21H17O5S
  • Average mass381.422 Da
  • Monoisotopic mass381.080231 Da
  • ChemSpider ID95724225

  • Charge - Charge

More details:

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

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

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

Density:
Boiling Point: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 457.60
ACD/KOC (pH 5.5): 2790.50
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 382.59
ACD/KOC (pH 7.4): 2333.07
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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