ChemSpider 2D Image | 1,3,6,8-Tetra-sec-butyldecahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole 2,2,7,7-tetraoxide | C22H42N4O8S2

1,3,6,8-Tetra-sec-butyldecahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole 2,2,7,7-tetraoxide

  • Molecular FormulaC22H42N4O8S2
  • Average mass554.721 Da
  • Monoisotopic mass554.244385 Da
  • ChemSpider ID2502736

More details:

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

[1,2,5]Thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole, decahydro-1,3,6,8-tetrakis(1-methylpropyl)-, 2,2,7,7-tetraoxide [ACD/Index Name]
1,3,6,8-Tetra-sec-butyldecahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazol-2,2,7,7-tetraoxid [German] [ACD/IUPAC Name]
1,3,6,8-Tetra-sec-butyldecahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole 2,2,7,7-tetraoxide [ACD/IUPAC Name]
2,2,7,7-Tétraoxyde de 1,3,6,8-tétra-sec-butyldécahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole [French] [ACD/IUPAC Name]
1,3,6,8-tetra(butan-2-yl)decahydro[1,2,5]thiadiazolo[3'',4'':5',6'][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-c][1,2,5]thiadiazole 2,2,7,7-tetraoxide
1,3,6,8-Tetra-sec-butyl-decahydro-4,5,9,10-tetraoxa-2,7-dithia-1,3,6,8-tetraaza-dicyclopenta[b,g]naphthalene 2,2,7,7-tetraoxide
4,6,12,14-tetrakis(methylpropyl)-2,8,10,16-tetraoxa-5,13-dithia-4,6,12,14-tetraazatetracyclo[7.7.0.0<3,7>.0<11,15>]hexadecane-5,5,13,13-tetraone

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

A2224/0093675 [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: 638.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1653.15
ACD/KOC (pH 5.5): 7002.71
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1653.15
ACD/KOC (pH 7.4): 7002.71
Polar Surface Area: 135 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 442.9±3.0 cm3

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