ChemSpider 2D Image | O-(2-Fluoro-4-nitrophenyl) [(4-isopropoxyphenyl)sulfonyl]carbamothioate | C16H15FN2O6S2

O-(2-Fluoro-4-nitrophenyl) [(4-isopropoxyphenyl)sulfonyl]carbamothioate

  • Molecular FormulaC16H15FN2O6S2
  • Average mass414.428 Da
  • Monoisotopic mass414.035553 Da
  • ChemSpider ID66461307

More details:

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

[(4-Isopropoxyphényl)sulfonyl]carbamothioate de O-(2-fluoro-4-nitrophényle) [French] [ACD/IUPAC Name]
Carbamothioic acid, N-[[4-(1-methylethoxy)phenyl]sulfonyl]-, O-(2-fluoro-4-nitrophenyl) ester [ACD/Index Name]
O-(2-Fluor-4-nitrophenyl)-[(4-isopropoxyphenyl)sulfonyl]carbamothioat [German] [ACD/IUPAC Name]
O-(2-Fluoro-4-nitrophenyl) [(4-isopropoxyphenyl)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: 546.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 27.07
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 4.38
ACD/KOC (pH 7.4): 27.04
Polar Surface Area: 151 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

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