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Search term: NFXQXSBKNGTIEG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[[1-(4-Ethylphenyl)-2-Methyl-5-(4-Methylsulfanylphenyl)pyrrol-3-Yl]methyl]thiomorpholine | C25H30N2S2

4-[[1-(4-Ethylphenyl)-2-Methyl-5-(4-Methylsulfanylphenyl)pyrrol-3-Yl]methyl]thiomorpholine

  • Molecular FormulaC25H30N2S2
  • Average mass422.649 Da
  • Monoisotopic mass422.185028 Da
  • ChemSpider ID26354211

More details:

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

4-({1-(4-Ethylphenyl)-2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-3-yl}methyl)thiomorpholin [German] [ACD/IUPAC Name]
4-({1-(4-Ethylphenyl)-2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-3-yl}methyl)thiomorpholine [ACD/IUPAC Name]
4-({1-(4-Éthylphényl)-2-méthyl-5-[4-(méthylsulfanyl)phényl]-1H-pyrrol-3-yl}méthyl)thiomorpholine [French] [ACD/IUPAC Name]
4-[[1-(4-Ethylphenyl)-2-Methyl-5-(4-Methylsulfanylphenyl)pyrrol-3-Yl]methyl]thiomorpholine
Thiomorpholine, 4-[[1-(4-ethylphenyl)-2-methyl-5-[4-(methylthio)phenyl]-1H-pyrrol-3-yl]methyl]- [ACD/Index Name]
JV0

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 130.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1262.55
ACD/KOC (pH 5.5): 2142.66
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 29307.10
ACD/KOC (pH 7.4): 49736.73
Polar Surface Area: 59 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 368.8±7.0 cm3

Click to predict properties on the Chemicalize site


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