ChemSpider 2D Image | 3-{[1-(4-Pyridinyl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid | C12H12N2O4S2

3-{[1-(4-Pyridinyl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC12H12N2O4S2
  • Average mass312.365 Da
  • Monoisotopic mass312.023834 Da
  • ChemSpider ID25995795

More details:

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

1153874-48-6 [RN]
2-Thiophenecarboxylic acid, 3-[[[1-(4-pyridinyl)ethyl]amino]sulfonyl]- [ACD/Index Name]
3-{[1-(4-Pyridinyl)ethyl]sulfamoyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-{[1-(4-Pyridinyl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-{[1-(pyridin-4-yl)ethyl]sulfamoyl}thiophene-2-carboxylic acid
Acide 3-{[1-(4-pyridinyl)éthyl]sulfamoyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-([1-(PYRIDIN-4-YL)ETHYL]SULFAMOYL)THIOPHENE-2-CARBOXYLIC ACID
MFCD13680892 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 556.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement