ChemSpider 2D Image | 2-Methyl-1-penten-4-yne-1-thione | C6H6S

2-Methyl-1-penten-4-yne-1-thione

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID74026322

More details:

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

1-Penten-4-yne-1-thione, 2-methyl- [ACD/Index Name]
2-Methyl-1-penten-4-in-1-thion [German] [ACD/IUPAC Name]
2-Methyl-1-penten-4-yne-1-thione [ACD/IUPAC Name]
2-Méthyl-1-pentén-4-yne-1-thione [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 179.7±43.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 62.5±28.2 °C
Index of Refraction: 1.520
Molar Refractivity: 34.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 161.22
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.51
ACD/KOC (pH 7.4): 161.22
Polar Surface Area: 32 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 24.1±3.0 dyne/cm
Molar Volume: 115.0±3.0 cm3

Click to predict properties on the Chemicalize site


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