ChemSpider 2D Image | 1,1',3,3'-Tetrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide | C22H42N4O8S2

1,1',3,3'-Tetrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide

  • Molecular FormulaC22H42N4O8S2
  • Average mass554.721 Da
  • Monoisotopic mass554.244385 Da
  • ChemSpider ID3747162

More details:

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

1,1',3,3'-Tetrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-2,2,2',2'-tetraoxid [German] [ACD/IUPAC Name]
1,1',3,3'-Tetrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide [ACD/IUPAC Name]
2,2,2',2'-Tétraoxyde de 1,1',3,3'-tétrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole [French] [ACD/IUPAC Name]
5H,5'H-5,5'-Bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole, 1,1',3,3'-tetrabutyloctahydro-, 2,2,2',2'-tetraoxide [ACD/Index Name]
1,3,1',3'-Tetrabutyl-octahydro-[5,5']bi[4,6-dioxa-2-thia-1,3-diaza-pentalenyl] 2,2,2',2'-tetraoxide
7-(6,8-dibutyl-7,7-dioxo-2,4-dioxa-7-thia-6,8-diazabicyclo[3.3.0]oct-3-yl)-2,4-dibutyl-6,8-dioxa-3-thia-2,4-diazabicyclo[3.3.0]octane-3,3-dione

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

A2515/0106853 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1248.15
ACD/KOC (pH 5.5): 5726.73
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1248.15
ACD/KOC (pH 7.4): 5726.73
Polar Surface Area: 135 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

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