Found 21 results

Search term: MF = 'C_{5}H_{6}O_{2}S_{2}'
ChemSpider 2D Image | Methyl 3H-1,2-dithiole-3-carboxylate | C5H6O2S2

Methyl 3H-1,2-dithiole-3-carboxylate

  • Molecular FormulaC5H6O2S2
  • Average mass162.230 Da
  • Monoisotopic mass161.980927 Da
  • ChemSpider ID67164167

More details:

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

3H-1,2-Dithiole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
3H-1,2-Dithiole-3-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 3H-1,2-dithiole-3-carboxylate [ACD/IUPAC Name]
Methyl-3H-1,2-dithiol-3-carboxylat [German] [ACD/IUPAC Name]
methyl(dithiolate)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 225.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 102.2±15.4 °C
Index of Refraction: 1.603
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 153.21
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.93
ACD/KOC (pH 7.4): 153.21
Polar Surface Area: 77 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

Click to predict properties on the Chemicalize site


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