ChemSpider 2D Image | 5-(5-Pyrimidinyl)-4H-1,2,4-triazole-3-sulfonamide | C6H6N6O2S

5-(5-Pyrimidinyl)-4H-1,2,4-triazole-3-sulfonamide

  • Molecular FormulaC6H6N6O2S
  • Average mass226.216 Da
  • Monoisotopic mass226.027298 Da
  • ChemSpider ID48229034

More details:

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

4H-1,2,4-Triazole-3-sulfonamide, 5-(5-pyrimidinyl)- [ACD/Index Name]
5-(5-Pyrimidinyl)-4H-1,2,4-triazol-3-sulfonamid [German] [ACD/IUPAC Name]
5-(5-Pyrimidinyl)-4H-1,2,4-triazole-3-sulfonamide [ACD/IUPAC Name]
5-(5-Pyrimidinyl)-4H-1,2,4-triazole-3-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 609.1±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±32.1 °C
Index of Refraction: 1.647
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.25
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 102.0±3.0 dyne/cm
Molar Volume: 134.9±3.0 cm3

Click to predict properties on the Chemicalize site


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