ChemSpider 2D Image | 4-[(3-Ethynylphenyl)sulfamoyl]-2-thiophenecarboxylic acid | C13H9NO4S2

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

  • Molecular FormulaC13H9NO4S2
  • Average mass307.345 Da
  • Monoisotopic mass306.997284 Da
  • ChemSpider ID38761965

More details:

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

2-Thiophenecarboxylic acid, 4-[[(3-ethynylphenyl)amino]sulfonyl]- [ACD/Index Name]
4-[(3-Ethinylphenyl)sulfamoyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-[(3-Ethynylphenyl)sulfamoyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-[(3-éthynylphényl)sulfamoyl]-2-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: 545.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 283.8±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 195.5±5.0 cm3

Click to predict properties on the Chemicalize site


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