ChemSpider 2D Image | (5Z)-5-({1-[4-(Adamantan-1-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-3-allyl-2-thioxo-1,3-thiazolidin-4-one | C29H32N2OS2

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

  • Molecular FormulaC29H32N2OS2
  • Average mass488.707 Da
  • Monoisotopic mass488.195618 Da
  • ChemSpider ID81359213

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-({1-[4-(Adamantan-1-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylen)-3-allyl-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5Z)-5-({1-[4-(Adamantan-1-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-3-allyl-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5Z)-5-({1-[4-(Adamantan-1-yl)phényl]-2,5-diméthyl-1H-pyrrol-3-yl}méthylène)-3-allyl-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[[2,5-dimethyl-1-(4-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-1H-pyrrol-3-yl]methylene]-3-(2-propen-1-yl)-2-thioxo-, (5Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.7±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66464.66
ACD/KOC (pH 5.5): 98535.18
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66464.66
ACD/KOC (pH 7.4): 98535.18
Polar Surface Area: 83 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 372.7±7.0 cm3

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