ChemSpider 2D Image | 2-(1,1-Dioxido-1,2-thiazolidin-2-yl)-1-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]ethanone | C13H25N3O4S

2-(1,1-Dioxido-1,2-thiazolidin-2-yl)-1-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]ethanone

  • Molecular FormulaC13H25N3O4S
  • Average mass319.420 Da
  • Monoisotopic mass319.156586 Da
  • ChemSpider ID30356974

More details:

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

2-(1,1-Dioxido-1,2-thiazolidin-2-yl)-1-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(1,1-Dioxido-1,2-thiazolidin-2-yl)-1-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(1,1-Dioxydo-1,2-thiazolidin-2-yl)-1-[4-(2-hydroxy-2-méthylpropyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(1,1-dioxido-2-isothiazolidinyl)-1-[4-(2-hydroxy-2-methylpropyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 267.7±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.87
Polar Surface Area: 90 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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