ChemSpider 2D Image | 2-Ethynyl-4H-1,3-dithiine | C6H6S2

2-Ethynyl-4H-1,3-dithiine

  • Molecular FormulaC6H6S2
  • Average mass142.242 Da
  • Monoisotopic mass141.991089 Da
  • ChemSpider ID28696270

More details:

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

2-Ethinyl-4H-1,3-dithiin [German] [ACD/IUPAC Name]
2-Ethynyl-4H-1,3-dithiine [ACD/IUPAC Name]
2-Éthynyl-4H-1,3-dithiine [French] [ACD/IUPAC Name]
4H-1,3-Dithiin, 2-ethynyl- [ACD/Index Name]
2-Ethynyl-2H,4H-1,3-dithiine
89027-61-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 248.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 113.3±24.4 °C
Index of Refraction: 1.634
Molar Refractivity: 41.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.53
ACD/KOC (pH 5.5): 475.07
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.53
ACD/KOC (pH 7.4): 475.07
Polar Surface Area: 51 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 116.0±5.0 cm3

Click to predict properties on the Chemicalize site


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