ChemSpider 2D Image | 1-(2-Propyn-1-ylsulfanyl)allene | C6H6S

1-(2-Propyn-1-ylsulfanyl)allene

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID62892760

More details:

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

1-(2-Propin-1-ylsulfanyl)allen [German] [ACD/IUPAC Name]
1-(2-Propyn-1-ylsulfanyl)allene [ACD/IUPAC Name]
1-(2-Propyn-1-ylsulfanyl)allène [French] [ACD/IUPAC Name]
1,2-Propadiene, 1-(2-propyn-1-ylthio)- [ACD/Index Name]
106113-43-3 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 164.6±10.0 °C at 760 mmHg
Vapour Pressure: 2.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 48.4±15.7 °C
Index of Refraction: 1.506
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.45
ACD/KOC (pH 5.5): 280.45
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.45
ACD/KOC (pH 7.4): 280.45
Polar Surface Area: 25 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 18.8±3.0 dyne/cm
Molar Volume: 119.1±3.0 cm3

Click to predict properties on the Chemicalize site


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