ChemSpider 2D Image | 1-({Methyl[4-(methylsulfanyl)benzyl]amino}methyl)-5-(1-pyrrolidinylsulfonyl)-2(1H)-pyridinethione | C19H25N3O2S3

1-({Methyl[4-(methylsulfanyl)benzyl]amino}methyl)-5-(1-pyrrolidinylsulfonyl)-2(1H)-pyridinethione

  • Molecular FormulaC19H25N3O2S3
  • Average mass423.616 Da
  • Monoisotopic mass423.110901 Da
  • ChemSpider ID29988594

More details:

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

1-({Methyl[4-(methylsulfanyl)benzyl]amino}methyl)-5-(1-pyrrolidinylsulfonyl)-2(1H)-pyridinethione [ACD/IUPAC Name]
1-({Méthyl[4-(méthylsulfanyl)benzyl]amino}méthyl)-5-(1-pyrrolidinylsulfonyl)-2(1H)-pyridinethione [French] [ACD/IUPAC Name]
1-({Methyl[4-(methylsulfanyl)benzyl]amino}methyl)-5-(1-pyrrolidinylsulfonyl)-2(1H)-pyridinthion [German] [ACD/IUPAC Name]
2(1H)-Pyridinethione, 1-[[methyl[[4-(methylthio)phenyl]methyl]amino]methyl]-5-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 13.42
ACD/KOC (pH 5.5): 166.36
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.98
ACD/KOC (pH 7.4): 458.30
Polar Surface Area: 110 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 308.9±5.0 cm3

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