ChemSpider 2D Image | S,S'-(2R,3R)-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) | C12H26O6P2S4

S,S'-(2R,3R)-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)

  • Molecular FormulaC12H26O6P2S4
  • Average mass456.539 Da
  • Monoisotopic mass456.008728 Da
  • ChemSpider ID34991548

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Bis(phosphorodithioate) de S,S'-(2R,3R)-1,4-dioxane-2,3-diyle et de O,O,O',O'-tétraéthyle [French] [ACD/IUPAC Name]
Phosphorodithioic acid, S,S'-(2R,3R)-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester [ACD/Index Name]
S,S'-(2R,3R)-1,4-Dioxan-2,3-diyl-O,O,O',O'-tetraethylbis(phosphorodithioat) [German] [ACD/IUPAC Name]
S,S'-(2R,3R)-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) [ACD/IUPAC Name]
201-107-7 [EINECS]
78-34-2 [RN]
dioxation [INN]
UNII-J2DF82JA7N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 258.7±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3369.34
ACD/KOC (pH 5.5): 11657.66
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3369.34
ACD/KOC (pH 7.4): 11657.66
Polar Surface Area: 190 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

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