ChemSpider 2D Image | Sulfanegen | C6H8O6S2

Sulfanegen

  • Molecular FormulaC6H8O6S2
  • Average mass240.254 Da
  • Monoisotopic mass239.976227 Da
  • ChemSpider ID29395474

More details:






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

1,4-Dithiane-2,5-dicarboxylic acid, 2,5-dihydroxy- [ACD/Index Name]
14338V25RC
2,5-Dihydroxy-1,4-dithian-2,5-dicarbonsäure [German] [ACD/IUPAC Name]
2,5-Dihydroxy-1,4-dithiane-2,5-dicarboxylic acid [ACD/IUPAC Name]
80003-64-1 [RN]
Acide 2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylique [French] [ACD/IUPAC Name]
Sulfanegen [Wiki]
UNII:14338V25RC
  • Miscellaneous
    • Chemical Class:

      A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopy ruvic acid and is an experimental antidote for cyanide poisoning. ChEBI CHEBI:138170

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

Density: 2.0±0.1 g/cm3
Boiling Point: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.766
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 141.5±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

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