ChemSpider 2D Image | N-[1-(2-Isobutoxyphenyl)-3-methylbutyl]tetrahydro-2H-thiopyran-4-amine 1,1-dioxide | C20H33NO3S

N-[1-(2-Isobutoxyphenyl)-3-methylbutyl]tetrahydro-2H-thiopyran-4-amine 1,1-dioxide

  • Molecular FormulaC20H33NO3S
  • Average mass367.546 Da
  • Monoisotopic mass367.218109 Da
  • ChemSpider ID65021369

More details:

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

1,1-Dioxyde de N-[1-(2-isobutoxyphényl)-3-méthylbutyl]tétrahydro-2H-thiopyrane-4-amine [French] [ACD/IUPAC Name]
2H-Thiopyran-4-amine, tetrahydro-N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]-, 1,1-dioxide [ACD/Index Name]
N-[1-(2-Isobutoxyphenyl)-3-methylbutyl]tetrahydro-2H-thiopyran-4-amin-1,1-dioxid [German] [ACD/IUPAC Name]
N-[1-(2-Isobutoxyphenyl)-3-methylbutyl]tetrahydro-2H-thiopyran-4-amine 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 43.57
ACD/KOC (pH 7.4): 306.75
Polar Surface Area: 64 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

Click to predict properties on the Chemicalize site


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