ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-(4-hydroxy-4-methyl-1-piperidinyl)ethanone | C12H21NO4S2

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-(4-hydroxy-4-methyl-1-piperidinyl)ethanone

  • Molecular FormulaC12H21NO4S2
  • Average mass307.429 Da
  • Monoisotopic mass307.091187 Da
  • ChemSpider ID36340684

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-(4-hydroxy-4-methyl-1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfanyl]-1-(4-hydroxy-4-methyl-1-piperidinyl)ethanone [ACD/IUPAC Name]
2-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfanyl]-1-(4-hydroxy-4-méthyl-1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(4-hydroxy-4-methyl-1-piperidinyl)-2-[(tetrahydro-1,1-dioxido-3-thienyl)thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 75.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.94
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.94
Polar Surface Area: 108 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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