ChemSpider 2D Image | 2-{[3-Methyl-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide | C23H18N2O5S2

2-{[3-Methyl-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide

  • Molecular FormulaC23H18N2O5S2
  • Average mass466.529 Da
  • Monoisotopic mass466.065704 Da
  • ChemSpider ID21125041

More details:

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

1,1-Dioxyde de 2-{[3-méthyl-1-(phénylsulfonyl)-1H-indol-2-yl]méthyl}-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
1,2-Benzisothiazol-3(2H)-one, 2-[[3-methyl-1-(phenylsulfonyl)-1H-indol-2-yl]methyl]-, 1,1-dioxide [ACD/Index Name]
2-{[3-Methyl-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-1,2-benzothiazol-3(2H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-{[3-Methyl-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.02
ACD/KOC (pH 5.5): 1013.21
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.02
ACD/KOC (pH 7.4): 1013.21
Polar Surface Area: 110 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

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