ChemSpider 2D Image | 2-[(2-Pyrimidinylsulfanyl)methyl]aniline | C11H11N3S

2-[(2-Pyrimidinylsulfanyl)methyl]aniline

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID22764054

More details:

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

2-[(2-Pyrimidinylsulfanyl)methyl]anilin [German] [ACD/IUPAC Name]
2-[(2-Pyrimidinylsulfanyl)methyl]aniline [ACD/IUPAC Name]
2-[(2-Pyrimidinylsulfanyl)méthyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 2-[(2-pyrimidinylthio)methyl]- [ACD/Index Name]
1019613-83-2 [RN]
2-[(pyrimidin-2-ylsulfanyl)methyl]aniline
MFCD11136110 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±24.0 °C
Index of Refraction: 1.667
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.79
ACD/KOC (pH 5.5): 177.88
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.84
ACD/KOC (pH 7.4): 178.78
Polar Surface Area: 77 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 170.0±5.0 cm3

Click to predict properties on the Chemicalize site


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