ChemSpider 2D Image | 3,5-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-4-sulfonyl chloride | C8H12ClN3O3S

3,5-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC8H12ClN3O3S
  • Average mass265.717 Da
  • Monoisotopic mass265.028778 Da
  • ChemSpider ID32825290

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 3,5-dimethyl-1-[2-(methylamino)-2-oxoethyl]- [ACD/Index Name]
3,5-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
3,5-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 3,5-diméthyl-1-[2-(méthylamino)-2-oxoéthyl]-1H-pyrazole-4-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 478.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.0±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.69
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.69
Polar Surface Area: 89 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 177.4±7.0 cm3

Click to predict properties on the Chemicalize site


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