ChemSpider 2D Image | 1-(1-Amino-1-oxo-2-propanyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride | C8H12ClN3O3S

1-(1-Amino-1-oxo-2-propanyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID32825291

More details:

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

1-(1-Amino-1-oxo-2-propanyl)-3,5-dimethyl-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
1-(1-Amino-1-oxo-2-propanyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
1H-Pyrazole-4-sulfonyl chloride, 1-(2-amino-1-methyl-2-oxoethyl)-3,5-dimethyl- [ACD/Index Name]
Chlorure de 1-(1-amino-1-oxo-2-propanyl)-3,5-diméthyl-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]
1-(2-amino-1-methyl-2-oxoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

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

Density: 1.6±0.1 g/cm3
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.8±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 60.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 37.92
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 37.92
Polar Surface Area: 103 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 169.5±7.0 cm3

Click to predict properties on the Chemicalize site


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