ChemSpider 2D Image | 3-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-4-sulfonyl chloride | C7H8ClN3O4S2

3-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID97853668

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 3-[4-(aminosulfonyl)-1-butyn-1-yl]- [ACD/Index Name]
3-(4-Sulfamoyl-1-butin-1-yl)-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
3-(4-Sulfamoyl-1-butyn-1-yl)-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 3-(4-sulfamoyl-1-butyn-1-yl)-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 615.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 61.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.74
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 140 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 99.5±5.0 dyne/cm
Molar Volume: 166.0±5.0 cm3

Click to predict properties on the Chemicalize site


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