ChemSpider 2D Image | N-{[1-(Methylsulfanyl)cyclobutyl]methyl}tetrahydro-2H-thiopyran-4-amine 1-oxide | C11H21NOS2

N-{[1-(Methylsulfanyl)cyclobutyl]methyl}tetrahydro-2H-thiopyran-4-amine 1-oxide

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID56955645

More details:






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

1-Oxyde de N-{[1-(méthylsulfanyl)cyclobutyl]méthyl}tétrahydro-2H-thiopyrane-4-amine [French] [ACD/IUPAC Name]
2H-Thiopyran-4-amine, tetrahydro-N-[[1-(methylthio)cyclobutyl]methyl]-, 1-oxide [ACD/Index Name]
N-{[1-(Methylsulfanyl)cyclobutyl]methyl}tetrahydro-2H-thiopyran-4-amin-1-oxid [German] [ACD/IUPAC Name]
N-{[1-(Methylsulfanyl)cyclobutyl]methyl}tetrahydro-2H-thiopyran-4-amine 1-oxide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 440.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±26.8 °C
Index of Refraction: 1.588
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.54
Polar Surface Area: 74 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 206.2±5.0 cm3

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