ChemSpider 2D Image | 4-Methyl-3-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid | C11H13N3O5S2

4-Methyl-3-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC11H13N3O5S2
  • Average mass331.368 Da
  • Monoisotopic mass331.029663 Da
  • ChemSpider ID81409565

More details:

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

2-Thiophenecarboxylic acid, 4-methyl-3-[[[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]sulfonyl]- [ACD/Index Name]
4-Methyl-3-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfamoyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Methyl-3-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfamoyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-3-{[1-(3-méthyl-1,2,4-oxadiazol-5-yl)éthyl]sulfamoyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.0±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

Click to predict properties on the Chemicalize site


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