ChemSpider 2D Image | 3-Deoxy-2,4-dithio-D-erythro-pentaric acid | C5H8O4S2

3-Deoxy-2,4-dithio-D-erythro-pentaric acid

  • Molecular FormulaC5H8O4S2
  • Average mass196.245 Da
  • Monoisotopic mass195.986404 Da
  • ChemSpider ID61327188

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Deoxy-2,4-dithio-D-erythro-pentaric acid [ACD/IUPAC Name]
3-Desoxy-2,4-dithio-D-erythro-pentarsäure [German] [ACD/IUPAC Name]
Acide 3-désoxy-2,4-dithio-D-érythro-pentarique [French] [ACD/IUPAC Name]
D-erythro-Pentaric acid, 3-deoxy-2,4-dithio- [ACD/Index Name]
31413-38-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 362.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 173.0±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 129.2±3.0 cm3

Click to predict properties on the Chemicalize site


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