ChemSpider 2D Image | 7-Thiabicyclo[4.1.0]hepta-2,4-diene | C6H6S

7-Thiabicyclo[4.1.0]hepta-2,4-diene

  • Molecular FormulaC6H6S
  • Average mass110.177 Da
  • Monoisotopic mass110.019020 Da
  • ChemSpider ID57429935

More details:

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

7-Thiabicyclo[4.1.0]hepta-2,4-dien [German] [ACD/IUPAC Name]
7-Thiabicyclo[4.1.0]hepta-2,4-diene [ACD/Index Name] [ACD/IUPAC Name]
7-Thiabicyclo[4.1.0]hepta-2,4-diène [French] [ACD/IUPAC Name]
87314-35-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 187.0±29.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 66.2±20.9 °C
Index of Refraction: 1.645
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 165.30
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.82
ACD/KOC (pH 7.4): 165.30
Polar Surface Area: 25 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 91.3±3.0 cm3

Click to predict properties on the Chemicalize site


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