ChemSpider 2D Image | 5-Methyl-3-(propylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride | C8H12ClN3O3S

5-Methyl-3-(propylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID48720471

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 5-methyl-3-[(propylamino)carbonyl]- [ACD/Index Name]
5-Methyl-3-(propylcarbamoyl)-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
5-Methyl-3-(propylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 5-méthyl-3-(propylcarbamoyl)-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.2±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.94
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 100 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 187.3±3.0 cm3

Click to predict properties on the Chemicalize site


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