ChemSpider 2D Image | 6-[5-(Cyclohexylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid | C16H23NO3S2

6-[5-(Cyclohexylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

  • Molecular FormulaC16H23NO3S2
  • Average mass341.489 Da
  • Monoisotopic mass341.111938 Da
  • ChemSpider ID24813423

More details:

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

3-Thiazolidinehexanoic acid, 5-(cyclohexylmethylene)-4-oxo-2-thioxo- [ACD/Index Name]
6-[5-(Cyclohexylmethylen)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexansäure [German] [ACD/IUPAC Name]
6-[5-(Cyclohexylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid [ACD/IUPAC Name]
Acide 6-[5-(cyclohexylméthylène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoïque [French] [ACD/IUPAC Name]
6-[5-(Cyclohexylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
833482-69-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 262.0±30.7 °C
Index of Refraction: 1.614
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 9.22
ACD/KOC (pH 5.5): 98.92
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 115 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


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