ChemSpider 2D Image | 2-{(5E)-5-[4-(Methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid | C16H13NO7S2

2-{(5E)-5-[4-(Methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid

  • Molecular FormulaC16H13NO7S2
  • Average mass395.407 Da
  • Monoisotopic mass395.013336 Da
  • ChemSpider ID26012114

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(5E)-5-[4-(Methoxycarbonyl)benzyliden]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}bernsteinsäure [German] [ACD/IUPAC Name]
2-{(5E)-5-[4-(Methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid [ACD/IUPAC Name]
Acide 2-{(5E)-5-[4-(méthoxycarbonyl)benzylidène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(5E)-5-[[4-(methoxycarbonyl)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinyl]- [ACD/Index Name]
2-[5-(4-Methoxycarbonyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-succinic acid
2-{(5E)-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanedioic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 592.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.0±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 242.8±5.0 cm3

Click to predict properties on the Chemicalize site


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