ChemSpider 2D Image | Methyl 3,7-dithia-2,6-diazaundecan-11-oate 3,3,7,7-tetraoxide | C8H18N2O6S2

Methyl 3,7-dithia-2,6-diazaundecan-11-oate 3,3,7,7-tetraoxide

  • Molecular FormulaC8H18N2O6S2
  • Average mass302.368 Da
  • Monoisotopic mass302.060638 Da
  • ChemSpider ID48022449

More details:






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

3,3,7,7-Tétraoxyde de -3,7-dithia-2,6-diazaundécan-11-oate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[2-[(methylamino)sulfonyl]ethyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 3,7-dithia-2,6-diazaundecan-11-oate 3,3,7,7-tetraoxide [ACD/IUPAC Name]
Methyl-3,7-dithia-2,6-diazaundecan-11-oat-3,3,7,7-tetraoxid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 467.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.4±31.5 °C
Index of Refraction: 1.501
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.03
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.01
Polar Surface Area: 135 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

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