ChemSpider 2D Image | 2-Methyl-1,3,4-pentatriene-1-thione | C6H6S

2-Methyl-1,3,4-pentatriene-1-thione

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID74026308

More details:

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

1,3,4-Pentatriene-1-thione, 2-methyl- [ACD/Index Name]
2-Methyl-1,3,4-pentatrien-1-thion [German] [ACD/IUPAC Name]
2-Methyl-1,3,4-pentatriene-1-thione [ACD/IUPAC Name]
2-Méthyl-1,3,4-pentatriène-1-thione [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 181.1±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 63.3±22.6 °C
Index of Refraction: 1.501
Molar Refractivity: 36.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.49
ACD/KOC (pH 5.5): 235.90
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.49
ACD/KOC (pH 7.4): 235.90
Polar Surface Area: 32 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 10.2±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

Click to predict properties on the Chemicalize site


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