ChemSpider 2D Image | Methyl 3-{[4-(sulfamoylmethyl)phenyl]sulfamoyl}-2-thiophenecarboxylate | C13H14N2O6S3

Methyl 3-{[4-(sulfamoylmethyl)phenyl]sulfamoyl}-2-thiophenecarboxylate

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID33763510

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4-[(aminosulfonyl)methyl]phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[4-(Sulfamoylméthyl)phényl]sulfamoyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[4-(sulfamoylmethyl)phenyl]sulfamoyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[4-(sulfamoylmethyl)phenyl]sulfamoyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±34.3 °C
Index of Refraction: 1.652
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: 0.43
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 64.85
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.86
Polar Surface Area: 178 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 246.9±3.0 cm3

Click to predict properties on the Chemicalize site


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