ChemSpider 2D Image | (5Z)-5-{[1-(4-Cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one | C30H32N2O2S2

(5Z)-5-{[1-(4-Cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID79639358

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-{[1-(4-Cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5Z)-5-{[1-(4-Cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5Z)-5-{[1-(4-Cyclohexylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-3-(4-méthoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-3-[(4-methoxyphenyl)methyl]-2-thioxo-, (5Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 357.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74115.87
ACD/KOC (pH 5.5): 106527.80
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74115.87
ACD/KOC (pH 7.4): 106527.80
Polar Surface Area: 92 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 418.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement