ChemSpider 2D Image | (5R)-5-[3-Ethoxy-4-(pentyloxy)phenyl]-1,3-thiazolidine-2,4-dione | C16H21NO4S

(5R)-5-[3-Ethoxy-4-(pentyloxy)phenyl]-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC16H21NO4S
  • Average mass323.407 Da
  • Monoisotopic mass323.119141 Da
  • ChemSpider ID34986408

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-[3-Ethoxy-4-(pentyloxy)phenyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5R)-5-[3-Ethoxy-4-(pentyloxy)phenyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5R)-5-[3-Éthoxy-4-(pentyloxy)phényl]-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-ethoxy-4-(pentyloxy)phenyl]-, (5R)- [ACD/Index Name]
79714-31-1 [RN]
UNII-6I9DQB98QI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 129.86
ACD/KOC (pH 5.5): 1034.28
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 7.40
ACD/KOC (pH 7.4): 58.95
Polar Surface Area: 90 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement