ChemSpider 2D Image | O-(2-Fluoro-4-nitrophenyl) [(2-methoxy-4,5-dimethylphenyl)sulfonyl]carbamothioate | C16H15FN2O6S2

O-(2-Fluoro-4-nitrophenyl) [(2-methoxy-4,5-dimethylphenyl)sulfonyl]carbamothioate

  • Molecular FormulaC16H15FN2O6S2
  • Average mass414.428 Da
  • Monoisotopic mass414.035553 Da
  • ChemSpider ID66461809

More details:

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

[(2-Méthoxy-4,5-diméthylphényl)sulfonyl]carbamothioate de O-(2-fluoro-4-nitrophényle) [French] [ACD/IUPAC Name]
Carbamothioic acid, N-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]-, O-(2-fluoro-4-nitrophenyl) ester [ACD/Index Name]
O-(2-Fluor-4-nitrophenyl)-[(2-methoxy-4,5-dimethylphenyl)sulfonyl]carbamothioat [German] [ACD/IUPAC Name]
O-(2-Fluoro-4-nitrophenyl) [(2-methoxy-4,5-dimethylphenyl)sulfonyl]carbamothioate [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 5.15
ACD/KOC (pH 5.5): 30.41
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 30.40
Polar Surface Area: 151 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 286.0±3.0 cm3

Click to predict properties on the Chemicalize site


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