ChemSpider 2D Image | 1-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}-2-(4-nitrophenoxy)ethanone | C16H21N3O8S2

1-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}-2-(4-nitrophenoxy)ethanone

  • Molecular FormulaC16H21N3O8S2
  • Average mass447.483 Da
  • Monoisotopic mass447.076996 Da
  • ChemSpider ID115186339

More details:

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

1-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}-2-(4-nitrophenoxy)ethanon [German] [ACD/IUPAC Name]
1-{4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}-2-(4-nitrophenoxy)ethanone [ACD/IUPAC Name]
1-{4-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfonyl]-1-pipérazinyl}-2-(4-nitrophénoxy)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(4-nitrophenoxy)-1-[4-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 777.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.7±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.81
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.81
Polar Surface Area: 164 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 282.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement