ChemSpider 2D Image | 3-Acetyl-3-sulfanyldihydro-2,5-furandione | C6H6O4S

3-Acetyl-3-sulfanyldihydro-2,5-furandione

  • Molecular FormulaC6H6O4S
  • Average mass174.174 Da
  • Monoisotopic mass173.998672 Da
  • ChemSpider ID60689447

More details:






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

2,5-Furandione, 3-acetyldihydro-3-mercapto- [ACD/Index Name]
3-Acetyl-3-sulfanyldihydro-2,5-furandion [German] [ACD/IUPAC Name]
3-Acetyl-3-sulfanyldihydro-2,5-furandione [ACD/IUPAC Name]
3-Acétyl-3-sulfanyldihydro-2,5-furanedione [French] [ACD/IUPAC Name]
1822778-49-3 [RN]
MFCD24739320

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 371.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 314.4±15.8 °C
Index of Refraction: 1.531
Molar Refractivity: 37.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 121.9±5.0 cm3

Click to predict properties on the Chemicalize site






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