ChemSpider 2D Image | Methyl 3-{[(5-sulfamoyl-2-thienyl)methyl]sulfamoyl}benzoate | C13H14N2O6S3

Methyl 3-{[(5-sulfamoyl-2-thienyl)methyl]sulfamoyl}benzoate

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID26190160

More details:

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

3-{[(5-Sulfamoyl-2-thiényl)méthyl]sulfamoyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[[5-(aminosulfonyl)-2-thienyl]methyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 3-{[(5-sulfamoyl-2-thienyl)methyl]sulfamoyl}benzoate [ACD/IUPAC Name]
Methyl-3-{[(5-sulfamoyl-2-thienyl)methyl]sulfamoyl}benzoat [German] [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: 644.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.8±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 91.65
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 89.36
Polar Surface Area: 178 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

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