ChemSpider 2D Image | 2-Methyl-2,4,6-cycloheptatriene-1-thione | C8H8S

2-Methyl-2,4,6-cycloheptatriene-1-thione

  • Molecular FormulaC8H8S
  • Average mass136.214 Da
  • Monoisotopic mass136.034668 Da
  • ChemSpider ID57504387

More details:

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

2,4,6-Cycloheptatriene-1-thione, 2-methyl- [ACD/Index Name]
2-Methyl-2,4,6-cycloheptatrien-1-thion [German] [ACD/IUPAC Name]
2-Methyl-2,4,6-cycloheptatriene-1-thione [ACD/IUPAC Name]
2-Méthyl-2,4,6-cycloheptatriène-1-thione [French] [ACD/IUPAC Name]
2-Methylcyclohepta-2,4,6-triene-1-thione
42604-47-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 227.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 91.2±22.6 °C
Index of Refraction: 1.602
Molar Refractivity: 43.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.77
ACD/KOC (pH 5.5): 366.02
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.77
ACD/KOC (pH 7.4): 366.02
Polar Surface Area: 32 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 127.2±5.0 cm3

Click to predict properties on the Chemicalize site


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