ChemSpider 2D Image | 5-{[4-Methyl-3-(methylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid | C13H14N2O6S3

5-{[4-Methyl-3-(methylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID24355917

More details:

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

3-Thiophenecarboxylic acid, 5-[[[4-methyl-3-[(methylamino)sulfonyl]phenyl]amino]sulfonyl]- [ACD/Index Name]
5-{[4-Methyl-3-(methylsulfamoyl)phenyl]sulfamoyl}-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-{[4-Methyl-3-(methylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-{[4-méthyl-3-(méthylsulfamoyl)phényl]sulfamoyl}-3-thiophènecarboxylique [French] [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: 643.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 247.4±3.0 cm3

Click to predict properties on the Chemicalize site


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