ChemSpider 2D Image | 2-(Methylthio)[1,3]dithiolo[4,5-d]-1,3-dithiole | C5H6S5

2-(Methylthio)[1,3]dithiolo[4,5-d]-1,3-dithiole

  • Molecular FormulaC5H6S5
  • Average mass226.426 Da
  • Monoisotopic mass225.907303 Da
  • ChemSpider ID62834078

More details:

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

1,3-Dithiolo[4,5-d][1,3]dithiole, 2-(methylthio)- [ACD/Index Name]
2-(Methylsulfanyl)[1,3]dithiolo[4,5-d][1,3]dithiol [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)[1,3]dithiolo[4,5-d][1,3]dithiole [ACD/IUPAC Name]
2-(Méthylsulfanyl)[1,3]dithiolo[4,5-d][1,3]dithiole [French] [ACD/IUPAC Name]
2-(Methylthio)[1,3]dithiolo[4,5-d]-1,3-dithiole
70800-60-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 457.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 262.6±25.8 °C
Index of Refraction: 1.829
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 370.35
ACD/KOC (pH 5.5): 2400.02
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.35
ACD/KOC (pH 7.4): 2400.02
Polar Surface Area: 127 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 138.1±5.0 cm3

Click to predict properties on the Chemicalize site


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