ChemSpider 2D Image | 3-{1-[(5-Ethyl-2-thienyl)sulfonyl]-3-azetidinyl}-1,3-thiazolidine-2,4-dione | C12H14N2O4S3

3-{1-[(5-Ethyl-2-thienyl)sulfonyl]-3-azetidinyl}-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC12H14N2O4S3
  • Average mass346.446 Da
  • Monoisotopic mass346.011566 Da
  • ChemSpider ID31082539

More details:

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

2,4-Thiazolidinedione, 3-[1-[(5-ethyl-2-thienyl)sulfonyl]-3-azetidinyl]- [ACD/Index Name]
3-{1-[(5-Ethyl-2-thienyl)sulfonyl]-3-azetidinyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-{1-[(5-Ethyl-2-thienyl)sulfonyl]-3-azetidinyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-{1-[(5-Éthyl-2-thiényl)sulfonyl]-3-azétidinyl}-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
1795086-00-8 [RN]
3-(1-((5-ethylthiophen-2-yl)sulfonyl)azetidin-3-yl)thiazolidine-2,4-dione
3-{1-[(5-ethylthiophen-2-yl)sulfonyl]azetidin-3-yl}-1,3-thiazolidine-2,4-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point: 526.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 112.81
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.17
ACD/KOC (pH 7.4): 112.81
Polar Surface Area: 137 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

Click to predict properties on the Chemicalize site


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