ChemSpider 2D Image | O-(3-Bromophenyl) [(4-fluorophenyl)sulfonyl]carbamothioate | C13H9BrFNO3S2

O-(3-Bromophenyl) [(4-fluorophenyl)sulfonyl]carbamothioate

  • Molecular FormulaC13H9BrFNO3S2
  • Average mass390.248 Da
  • Monoisotopic mass388.919128 Da
  • ChemSpider ID66460039

More details:

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

[(4-Fluorophényl)sulfonyl]carbamothioate de O-(3-bromophényle) [French] [ACD/IUPAC Name]
Carbamothioic acid, N-[(4-fluorophenyl)sulfonyl]-, O-(3-bromophenyl) ester [ACD/Index Name]
O-(3-Bromophenyl) [(4-fluorophenyl)sulfonyl]carbamothioate [ACD/IUPAC Name]
O-(3-Bromphenyl)-[(4-fluorphenyl)sulfonyl]carbamothioat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 468.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 237.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 26.35
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 26.30
Polar Surface Area: 96 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


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