ChemSpider 2D Image | 1,3-Dithiolane-4,5-diol | C3H6O2S2

1,3-Dithiolane-4,5-diol

  • Molecular FormulaC3H6O2S2
  • Average mass138.208 Da
  • Monoisotopic mass137.980927 Da
  • ChemSpider ID28575937

More details:

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

1,3-Dithiolan-4,5-diol [German] [ACD/IUPAC Name]
1,3-Dithiolane-4,5-diol [ACD/Index Name] [ACD/IUPAC Name]
1,3-Dithiolane-4,5-diol [French] [ACD/Index Name] [ACD/IUPAC Name]
807363-74-2 [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: 295.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.1±6.0 kJ/mol
Flash Point: 144.1±26.0 °C
Index of Refraction: 1.752
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.42
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.42
Polar Surface Area: 91 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 80.6±3.0 dyne/cm
Molar Volume: 81.6±3.0 cm3

Click to predict properties on the Chemicalize site


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