ChemSpider 2D Image | 6-{4-[2-(Methylsulfanyl)ethyl]-1-piperazinyl}-2-pyrazinamine | C11H19N5S

6-{4-[2-(Methylsulfanyl)ethyl]-1-piperazinyl}-2-pyrazinamine

  • Molecular FormulaC11H19N5S
  • Average mass253.367 Da
  • Monoisotopic mass253.136108 Da
  • ChemSpider ID90300798

More details:

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

2-Pyrazinamine, 6-[4-[2-(methylthio)ethyl]-1-piperazinyl]- [ACD/Index Name]
6-{4-[2-(Methylsulfanyl)ethyl]-1-piperazinyl}-2-pyrazinamin [German] [ACD/IUPAC Name]
6-{4-[2-(Methylsulfanyl)ethyl]-1-piperazinyl}-2-pyrazinamine [ACD/IUPAC Name]
6-{4-[2-(Méthylsulfanyl)éthyl]-1-pipérazinyl}-2-pyrazinamine [French] [ACD/IUPAC 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: 481.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.2±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 29.35
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.02
ACD/KOC (pH 7.4): 124.35
Polar Surface Area: 84 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 209.5±3.0 cm3

Click to predict properties on the Chemicalize site


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