ChemSpider 2D Image | N-[2-(Methylsulfanyl)ethyl]tetrahydro-2H-thiopyran-4-amine 1-oxide | C8H17NOS2

N-[2-(Methylsulfanyl)ethyl]tetrahydro-2H-thiopyran-4-amine 1-oxide

  • Molecular FormulaC8H17NOS2
  • Average mass207.357 Da
  • Monoisotopic mass207.075150 Da
  • ChemSpider ID44592168

More details:

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

1-Oxyde de N-[2-(méthylsulfanyl)éthyl]tétrahydro-2H-thiopyrane-4-amine [French] [ACD/IUPAC Name]
2H-Thiopyran-4-amine, tetrahydro-N-[2-(methylthio)ethyl]-, 1-oxide [ACD/Index Name]
N-[2-(Methylsulfanyl)ethyl]tetrahydro-2H-thiopyran-4-amin-1-oxid [German] [ACD/IUPAC Name]
N-[2-(Methylsulfanyl)ethyl]tetrahydro-2H-thiopyran-4-amine 1-oxide [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: 410.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.8±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 57.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.49
Polar Surface Area: 74 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 175.4±5.0 cm3

Click to predict properties on the Chemicalize site


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