ChemSpider 2D Image | 2-(4-{[3-(Methylsulfonyl)-4-thiomorpholinyl]sulfonyl}-1H-pyrazol-1-yl)ethanol | C10H17N3O5S3

2-(4-{[3-(Methylsulfonyl)-4-thiomorpholinyl]sulfonyl}-1H-pyrazol-1-yl)ethanol

  • Molecular FormulaC10H17N3O5S3
  • Average mass355.454 Da
  • Monoisotopic mass355.033020 Da
  • ChemSpider ID49432145

More details:

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

1H-Pyrazole-1-ethanol, 4-[[3-(methylsulfonyl)-4-thiomorpholinyl]sulfonyl]- [ACD/Index Name]
2-(4-{[3-(Methylsulfonyl)-4-thiomorpholinyl]sulfonyl}-1H-pyrazol-1-yl)ethanol [German] [ACD/IUPAC Name]
2-(4-{[3-(Methylsulfonyl)-4-thiomorpholinyl]sulfonyl}-1H-pyrazol-1-yl)ethanol [ACD/IUPAC Name]
2-(4-{[3-(Méthylsulfonyl)-4-thiomorpholinyl]sulfonyl}-1H-pyrazol-1-yl)éthanol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 676.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.8±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.57
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.57
Polar Surface Area: 152 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 73.9±7.0 dyne/cm
Molar Volume: 214.5±7.0 cm3

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