ChemSpider 2D Image | 1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}urea | C15H28N4O2S

1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}urea

  • Molecular FormulaC15H28N4O2S
  • Average mass328.473 Da
  • Monoisotopic mass328.193298 Da
  • ChemSpider ID30476664

More details:

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

1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}harnstoff [German] [ACD/IUPAC Name]
1-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}urea [ACD/IUPAC Name]
1-[(1-Éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-3-{2-[(2-méthyl-2-propanyl)sulfinyl]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[2-[(1,1-dimethylethyl)sulfinyl]ethyl]-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.5±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.04
ACD/KOC (pH 5.5): 154.62
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.06
ACD/KOC (pH 7.4): 155.09
Polar Surface Area: 95 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 277.1±7.0 cm3

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