ChemSpider 2D Image | Methyl 3-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-2-thiophenecarboxylate | C14H16N2O6S3

Methyl 3-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-2-thiophenecarboxylate

  • Molecular FormulaC14H16N2O6S3
  • Average mass404.482 Da
  • Monoisotopic mass404.017059 Da
  • ChemSpider ID70229383

More details:

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

2-Thiophenecarboxylic acid, 3-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[2-(4-Sulfamoylphényl)éthyl]sulfamoyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-2-thiophencarboxylat [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: 647.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 146.43
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.42
ACD/KOC (pH 7.4): 145.99
Polar Surface Area: 178 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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