ChemSpider 2D Image | 1,1'-(4-Methyl-1,3-phenylene)bis{3-[2-(methylsulfonyl)ethyl]urea} | C15H24N4O6S2

1,1'-(4-Methyl-1,3-phenylene)bis{3-[2-(methylsulfonyl)ethyl]urea}

  • Molecular FormulaC15H24N4O6S2
  • Average mass420.504 Da
  • Monoisotopic mass420.113739 Da
  • ChemSpider ID30498338

More details:

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

1,1'-(4-Methyl-1,3-phenylen)bis{3-[2-(methylsulfonyl)ethyl]harnstoff} [German] [ACD/IUPAC Name]
1,1'-(4-Methyl-1,3-phenylene)bis{3-[2-(methylsulfonyl)ethyl]urea} [ACD/IUPAC Name]
1,1'-(4-Méthyl-1,3-phénylène)bis{3-[2-(méthylsulfonyl)éthyl]urée} [French] [ACD/IUPAC Name]
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N'-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
3-(2-METHANESULFONYLETHYL)-1-(3-{[(2-METHANESULFONYLETHYL)CARBAMOYL]AMINO}-4-METHYLPHENYL)UREA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.94
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.94
Polar Surface Area: 167 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

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