ChemSpider 2D Image | 2-[(5E)-5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid | C16H13NO7S2

2-[(5E)-5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid

  • Molecular FormulaC16H13NO7S2
  • Average mass395.407 Da
  • Monoisotopic mass395.013336 Da
  • ChemSpider ID21822504

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(5E)-5-(1,3-Benzodioxol-5-ylmethylen)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentandisäure [German] [ACD/IUPAC Name]
2-[(5E)-5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid [ACD/IUPAC Name]
Acide 2-[(5E)-5-(1,3-benzodioxol-5-ylméthylène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-3-thiazolidinyl]- [ACD/Index Name]
2-(5-Benzo[1,3]dioxol-5-ylmethylene-4-oxo-2-thioxo-thiazolidin-3-yl)-pentanedioic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 630.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.1±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 232.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement