ChemSpider 2D Image | Methyl dithioacetate | C3H6O2S2

Methyl dithioacetate

  • Molecular FormulaC3H6O2S2
  • Average mass138.208 Da
  • Monoisotopic mass137.980927 Da
  • ChemSpider ID114826454

More details:

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

2168-84-5 [RN]
Acetic acid, 2,2-dimercapto-, methyl ester [ACD/Index Name]
Disulfanylacétate de méthyle [French] [ACD/IUPAC Name]
Methyl disulfanylacetate [ACD/IUPAC Name]
Methyl dithioacetate
Methyl-disulfanylacetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 203.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 109.4±11.1 °C
Index of Refraction: 1.521
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 111.55
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.03
Polar Surface Area: 104 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 110.0±3.0 cm3

Click to predict properties on the Chemicalize site


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