ChemSpider 2D Image | 5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide | C13H9N5O2S2

5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide

  • Molecular FormulaC13H9N5O2S2
  • Average mass331.373 Da
  • Monoisotopic mass331.019775 Da
  • ChemSpider ID30819820

More details:

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

2-Thiophenesulfonamide, 5-[1-(3-cyanophenyl)-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
5-[1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl]-2-thiophenesulfonamide [ACD/IUPAC Name]
5-[1-(3-Cyanophényl)-1H-1,2,3-triazol-4-yl]-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
5-[1-(3-Cyanphenyl)-1H-1,2,3-triazol-4-yl]-2-thiophensulfonamid [German] [ACD/IUPAC Name]
X0Q

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

Density: 1.6±0.1 g/cm3
Boiling Point: 650.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±34.3 °C
Index of Refraction: 1.783
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.32
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.18
ACD/KOC (pH 7.4): 96.62
Polar Surface Area: 151 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 78.7±7.0 dyne/cm
Molar Volume: 205.0±7.0 cm3

Click to predict properties on the Chemicalize site


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