ChemSpider 2D Image | 1H-Benzotriazole-5-sulfonamide | C6H6N4O2S

1H-Benzotriazole-5-sulfonamide

  • Molecular FormulaC6H6N4O2S
  • Average mass198.202 Da
  • Monoisotopic mass198.021149 Da
  • ChemSpider ID23978458

More details:

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

1H-1,2,3-Benzotriazole-5-sulfonamide [ACD/Index Name]
1H-Benzotriazol-5-sulfonamid [German] [ACD/IUPAC Name]
1H-Benzotriazole-5-sulfonamide [ACD/IUPAC Name]
1H-Benzotriazole-5-sulfonamide [French] [ACD/IUPAC Name]
491612-08-9 [RN]
1H-benzo[d][1,2,3]triazole-5-sulfonamide
1H-Benzotriazole-5-sulfonamide (9CI)
1H-BENZOTRIAZOLE-5-SULFONAMIDE(9CI)
1H-Benzotriazole-5-sulfonic acid amide
2H-benzotriazole-5-sulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 593.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.5±27.9 °C
Index of Refraction: 1.719
Molar Refractivity: 46.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.24
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.28
Polar Surface Area: 110 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 99.5±3.0 dyne/cm
Molar Volume: 117.3±3.0 cm3

Click to predict properties on the Chemicalize site


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