ChemSpider 2D Image | 2-({4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}methyl)-4-nitro-1H-isoindole-1,3(2H)-dione | C17H20N4O8S2

2-({4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}methyl)-4-nitro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC17H20N4O8S2
  • Average mass472.493 Da
  • Monoisotopic mass472.072266 Da
  • ChemSpider ID30079124

More details:

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

1H-Isoindole-1,3(2H)-dione, 4-nitro-2-[[4-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]-1-piperazinyl]methyl]- [ACD/Index Name]
2-({4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}methyl)-4-nitro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-({4-[(1,1-Dioxidotetrahydro-3-thiophenyl)sulfonyl]-1-piperazinyl}methyl)-4-nitro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-({4-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfonyl]-1-pipérazinyl}méthyl)-4-nitro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 740.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.64
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.26
Polar Surface Area: 175 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 92.2±5.0 dyne/cm
Molar Volume: 276.9±5.0 cm3

Click to predict properties on the Chemicalize site


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