ChemSpider 2D Image | Methyl (4-bromo-2-{(E)-[3-(3-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate | C19H13Br2NO4S2

Methyl (4-bromo-2-{(E)-[3-(3-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

  • Molecular FormulaC19H13Br2NO4S2
  • Average mass543.249 Da
  • Monoisotopic mass540.865234 Da
  • ChemSpider ID79707091

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-Bromo-2-{(E)-[3-(3-bromophényl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}phénoxy)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-bromo-2-[(E)-[3-(3-bromophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]phenoxy]-, methyl ester [ACD/Index Name]
Methyl (4-bromo-2-{(E)-[3-(3-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate [ACD/IUPAC Name]
Methyl-(4-brom-2-{(E)-[3-(3-bromphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}phenoxy)acetat [German] [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: 615.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3166.63
ACD/KOC (pH 5.5): 11151.22
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3166.63
ACD/KOC (pH 7.4): 11151.22
Polar Surface Area: 113 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 295.7±5.0 cm3

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