ChemSpider 2D Image | Methyl 3-{[3-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate | C13H14N2O6S3

Methyl 3-{[3-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID39464494

More details:

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

2-Thiophenecarboxylic acid, 3-[[3-(2,4-dioxo-3-thiazolidinyl)-1-pyrrolidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[3-(2,4-Dioxo-1,3-thiazolidin-3-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[3-(2,4-dioxo-1,3-thiazolidin-3-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
methyl 3-((3-(2,4-dioxothiazolidin-3-yl)pyrrolidin-1-yl)sulfonyl)thiophene-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.9±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 70.11
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 70.11
Polar Surface Area: 163 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

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