ChemSpider 2D Image | (5E)-1-(2-Chlorophenyl)-3,3-dimethyl-5-[(2-methyl-2-propanyl)imino]-4-(1-piperidinyl)-2-pyrrolidinethione | C21H30ClN3S

(5E)-1-(2-Chlorophenyl)-3,3-dimethyl-5-[(2-methyl-2-propanyl)imino]-4-(1-piperidinyl)-2-pyrrolidinethione

  • Molecular FormulaC21H30ClN3S
  • Average mass392.001 Da
  • Monoisotopic mass391.184906 Da
  • ChemSpider ID22972177

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-1-(2-Chlorophenyl)-3,3-dimethyl-5-[(2-methyl-2-propanyl)imino]-4-(1-piperidinyl)-2-pyrrolidinethione [ACD/IUPAC Name]
(5E)-1-(2-Chlorophényl)-3,3-diméthyl-5-[(2-méthyl-2-propanyl)imino]-4-(1-pipéridinyl)-2-pyrrolidinethione [French] [ACD/IUPAC Name]
(5E)-1-(2-Chlorphenyl)-3,3-dimethyl-5-[(2-methyl-2-propanyl)imino]-4-(1-piperidinyl)-2-pyrrolidinthion [German] [ACD/IUPAC Name]
2-Pyrrolidinethione, 1-(2-chlorophenyl)-5-[(1,1-dimethylethyl)imino]-3,3-dimethyl-4-(1-piperidinyl)-, (5E)- [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: 467.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.5±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1306.19
ACD/KOC (pH 5.5): 4426.73
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3544.61
ACD/KOC (pH 7.4): 12012.81
Polar Surface Area: 51 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

Click to predict properties on the Chemicalize site


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