ChemSpider 2D Image | 5R-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine | C16H13BrN2O3S3

5R-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine

  • Molecular FormulaC16H13BrN2O3S3
  • Average mass457.385 Da
  • Monoisotopic mass455.927155 Da
  • ChemSpider ID25057524

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5R-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
Benzenesulfonamide, N-[(5R)-5-[(4-bromophenyl)methyl]-4-oxo-2-thioxo-3-thiazolidinyl]- [ACD/Index Name]
N-[(5R)-5-(4-Brombenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(5R)-5-(4-Bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide [ACD/IUPAC Name]
N-[(5R)-5-(4-Bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 579.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±27.9 °C
Index of Refraction: 1.762
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 106.79
ACD/KOC (pH 5.5): 911.31
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 56.83
Polar Surface Area: 132 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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