ChemSpider 2D Image | (1R,4R)-7-Thiabicyclo[2.2.1]heptane-2,5-dione 7,7-dioxide | C6H6O4S

(1R,4R)-7-Thiabicyclo[2.2.1]heptane-2,5-dione 7,7-dioxide

  • Molecular FormulaC6H6O4S
  • Average mass174.174 Da
  • Monoisotopic mass173.998672 Da
  • ChemSpider ID61395101

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4R) 7,7-Dioxyde de -7-thiabicyclo[2.2.1]heptane-2,5-dione [French] [ACD/IUPAC Name]
(1R,4R)-7-Thiabicyclo[2.2.1]heptan-2,5-dion-7,7-dioxid [German] [ACD/IUPAC Name]
(1R,4R)-7-Thiabicyclo[2.2.1]heptane-2,5-dione 7,7-dioxide [ACD/IUPAC Name]
7-Thiabicyclo[2.2.1]heptane-2,5-dione, 7,7-dioxide, (1R,4R)- [ACD/Index Name]
1932581-07-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 390.4±22.8 °C
Index of Refraction: 1.577
Molar Refractivity: 34.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.04
Polar Surface Area: 77 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 104.8±3.0 cm3

Click to predict properties on the Chemicalize site


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