ChemSpider 2D Image | 1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanone | C13H16N2O5S2

1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanone

  • Molecular FormulaC13H16N2O5S2
  • Average mass344.406 Da
  • Monoisotopic mass344.050049 Da
  • ChemSpider ID22470836

More details:

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

1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanon [German] [ACD/IUPAC Name]
1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanone [ACD/IUPAC Name]
1-(1,4-Dioxa-8-azaspiro[4.5]déc-8-yl)-2-[(2-nitro-3-thiényl)sulfanyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-[(2-nitro-3-thienyl)thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.3±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.88
ACD/KOC (pH 5.5): 295.85
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.88
ACD/KOC (pH 7.4): 295.85
Polar Surface Area: 138 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 232.0±5.0 cm3

Click to predict properties on the Chemicalize site


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