ChemSpider 2D Image | S-(4-Methylphenyl) 3-(methylsulfonyl)-2-oxo-1-imidazolidinecarbothioate | C12H14N2O4S2

S-(4-Methylphenyl) 3-(methylsulfonyl)-2-oxo-1-imidazolidinecarbothioate

  • Molecular FormulaC12H14N2O4S2
  • Average mass314.381 Da
  • Monoisotopic mass314.039490 Da
  • ChemSpider ID21130359

More details:

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

1-Imidazolidinecarbothioic acid, 3-(methylsulfonyl)-2-oxo-, S-(4-methylphenyl) ester [ACD/Index Name]
3-(Méthylsulfonyl)-2-oxo-1-imidazolidinecarbothioate de S-(4-méthylphényle) [French] [ACD/IUPAC Name]
S-(4-Methylphenyl) 3-(methylsulfonyl)-2-oxo-1-imidazolidinecarbothioate [ACD/IUPAC Name]
S-(4-Methylphenyl)-3-(methylsulfonyl)-2-oxo-1-imidazolidincarbothioat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 474.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.6±26.8 °C
Index of Refraction: 1.657
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.99
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.99
Polar Surface Area: 108 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site


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