ChemSpider 2D Image | 5-Methyl-2-[2-(methylsulfonyl)ethyl]-2,4-dihydro-3H-pyrazol-3-one | C7H12N2O3S

5-Methyl-2-[2-(methylsulfonyl)ethyl]-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC7H12N2O3S
  • Average mass204.247 Da
  • Monoisotopic mass204.056870 Da
  • ChemSpider ID44640581

More details:

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

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
5-Methyl-2-[2-(methylsulfonyl)ethyl]-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
5-Methyl-2-[2-(methylsulfonyl)ethyl]-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Méthyl-2-[2-(méthylsulfonyl)éthyl]-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
1-(2-methanesulfonylethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
1339811-48-1 [RN]
MFCD19071866

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

Density: 1.4±0.1 g/cm3
Boiling Point: 394.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 192.3±28.4 °C
Index of Refraction: 1.583
Molar Refractivity: 49.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.72
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 75 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 148.1±7.0 cm3

Click to predict properties on the Chemicalize site


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