Found 13 results

Search term: MF = 'C_{9}H_{6}S_{2}'
ChemSpider 2D Image | 2-Ethynyl-1,3-benzodithiole | C9H6S2

2-Ethynyl-1,3-benzodithiole

  • Molecular FormulaC9H6S2
  • Average mass178.274 Da
  • Monoisotopic mass177.991089 Da
  • ChemSpider ID28694000

More details:

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

1,3-Benzodithiole, 2-ethynyl- [ACD/Index Name]
2-Ethinyl-1,3-benzodithiol [German] [ACD/IUPAC Name]
2-Ethynyl-1,3-benzodithiole [ACD/IUPAC Name]
2-Éthynyl-1,3-benzodithiole [French] [ACD/IUPAC Name]
2-Ethynyl-2H-1,3-benzodithiole
88790-41-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 268.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 120.5±24.4 °C
Index of Refraction: 1.712
Molar Refractivity: 52.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.52
ACD/KOC (pH 5.5): 1162.50
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.52
ACD/KOC (pH 7.4): 1162.50
Polar Surface Area: 51 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 133.8±5.0 cm3

Click to predict properties on the Chemicalize site


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