ChemSpider 2D Image | 3-[(4-Carboxybenzyl)sulfamoyl]-2-thiophenecarboxylic acid | C13H11NO6S2

3-[(4-Carboxybenzyl)sulfamoyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC13H11NO6S2
  • Average mass341.359 Da
  • Monoisotopic mass341.002777 Da
  • ChemSpider ID34219195

More details:

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

2-Thiophenecarboxylic acid, 3-[[[(4-carboxyphenyl)methyl]amino]sulfonyl]- [ACD/Index Name]
3-[(4-Carboxybenzyl)sulfamoyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-[(4-Carboxybenzyl)sulfamoyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-[(4-Carboxybenzyl)sulfamoyl]thiophene-2-Carboxylic Acid
Acide 3-[(4-carboxybenzyl)sulfamoyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
18U

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.5±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

Click to predict properties on the Chemicalize site


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