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

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

  • Molecular FormulaC11H13N3O5S2
  • Average mass331.368 Da
  • Monoisotopic mass331.029663 Da
  • ChemSpider ID62713287

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.2±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: 1.590
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
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: 66.2±3.0 dyne/cm
Molar Volume: 222.1±3.0 cm3

Click to predict properties on the Chemicalize site


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