ChemSpider 2D Image | 3-(4-Methylphenyl)-1,2-benzothiazole 1,1-dioxide | C14H11NO2S

3-(4-Methylphenyl)-1,2-benzothiazole 1,1-dioxide

  • Molecular FormulaC14H11NO2S
  • Average mass257.308 Da
  • Monoisotopic mass257.051056 Da
  • ChemSpider ID28485179

More details:

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

1,1-Dioxyde de 3-(4-méthylphényl)-1,2-benzothiazole [French] [ACD/IUPAC Name]
1,2-Benzisothiazole, 3-(4-methylphenyl)-, 1,1-dioxide [ACD/Index Name]
3-(4-Methylphenyl)-1,2-benzothiazol-1,1-dioxid [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-1,2-benzothiazole 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 444.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 222.7±26.8 °C
Index of Refraction: 1.654
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.62
ACD/KOC (pH 5.5): 641.49
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.62
ACD/KOC (pH 7.4): 641.49
Polar Surface Area: 55 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 196.6±7.0 cm3

Click to predict properties on the Chemicalize site


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