ChemSpider 2D Image | 2-{(5E)-5-[(5-Nitro-2-thienyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid | C13H12N2O5S3

2-{(5E)-5-[(5-Nitro-2-thienyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid

  • Molecular FormulaC13H12N2O5S3
  • Average mass372.440 Da
  • Monoisotopic mass371.990845 Da
  • ChemSpider ID66546607

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(5E)-5-[(5-Nitro-2-thienyl)methylen]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentansäure [German] [ACD/IUPAC Name]
2-{(5E)-5-[(5-Nitro-2-thienyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 5-[(5-nitro-2-thienyl)methylene]-4-oxo-α-propyl-2-thioxo-, (5E)- [ACD/Index Name]
Acide 2-{(5E)-5-[(5-nitro-2-thiényl)méthylène]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 572.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 300.1±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.33
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 231.4±5.0 cm3

Click to predict properties on the Chemicalize site


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