ChemSpider 2D Image | 3-{3-[(Methylsulfonyl)amino]-1-propyn-1-yl}-1H-pyrazole-4-sulfonyl chloride | C7H8ClN3O4S2

3-{3-[(Methylsulfonyl)amino]-1-propyn-1-yl}-1H-pyrazole-4-sulfonyl chloride

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID95308075

More details:

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

1H-Pyrazole-4-sulfonyl chloride, 3-[3-[(methylsulfonyl)amino]-1-propyn-1-yl]- [ACD/Index Name]
3-{3-[(Methylsulfonyl)amino]-1-propin-1-yl}-1H-pyrazol-4-sulfonylchlorid [German] [ACD/IUPAC Name]
3-{3-[(Methylsulfonyl)amino]-1-propyn-1-yl}-1H-pyrazole-4-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 3-{3-[(méthylsulfonyl)amino]-1-propyn-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: 563.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.4±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 61.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.26
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 126 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 170.0±5.0 cm3

Click to predict properties on the Chemicalize site


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