ChemSpider 2D Image | 5-(Methylsulfanyl)-3H-1,2-dithiole-3-thione | C4H4S4

5-(Methylsulfanyl)-3H-1,2-dithiole-3-thione

  • Molecular FormulaC4H4S4
  • Average mass180.335 Da
  • Monoisotopic mass179.919586 Da
  • ChemSpider ID30652216

More details:

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

3H-1,2-Dithiole-3-thione, 5-(methylthio)- [ACD/Index Name]
5-(Methylsulfanyl)-3H-1,2-dithiol-3-thion [German] [ACD/IUPAC Name]
5-(Methylsulfanyl)-3H-1,2-dithiole-3-thione [ACD/IUPAC Name]
5-(Méthylsulfanyl)-3H-1,2-dithiole-3-thione [French] [ACD/IUPAC Name]
14756-34-4 [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: 294.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 131.7±28.2 °C
Index of Refraction: 1.787
Molar Refractivity: 49.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.24
ACD/KOC (pH 5.5): 408.79
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.24
ACD/KOC (pH 7.4): 408.79
Polar Surface Area: 108 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 116.8±5.0 cm3

Click to predict properties on the Chemicalize site


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