ChemSpider 2D Image | S-[(3R)-2,5-Dioxotetrahydro-3-furanyl] ethanethioate | C6H6O4S

S-[(3R)-2,5-Dioxotetrahydro-3-furanyl] ethanethioate

  • Molecular FormulaC6H6O4S
  • Average mass174.174 Da
  • Monoisotopic mass173.998672 Da
  • ChemSpider ID110095115

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Éthanethioate de S-[(3R)-2,5-dioxotétrahydro-3-furanyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, S-[(3R)-tetrahydro-2,5-dioxo-3-furanyl] ester [ACD/Index Name]
S-[(3R)-2,5-Dioxotetrahydro-3-furanyl] ethanethioate [ACD/IUPAC Name]
S-[(3R)-2,5-Dioxotetrahydro-3-furanyl]-ethanthioat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 354.3±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 188.3±12.9 °C
Index of Refraction: 1.534
Molar Refractivity: 37.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.75
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.75
Polar Surface Area: 86 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 121.8±5.0 cm3

Click to predict properties on the Chemicalize site


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