ChemSpider 2D Image | 2-(1,3-Benzodithiol-2-ylidene)cyclohexanone | C13H12OS2

2-(1,3-Benzodithiol-2-ylidene)cyclohexanone

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID57435794

More details:






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

2-(1,3-Benzodithiol-2-yliden)cyclohexanon [German] [ACD/IUPAC Name]
2-(1,3-Benzodithiol-2-ylidene)cyclohexanone [ACD/IUPAC Name]
2-(1,3-Benzodithiol-2-ylidène)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-(1,3-benzodithiol-2-ylidene)- [ACD/Index Name]
2-(2H-1,3-Benzodithiol-2-ylidene)cyclohexan-1-one
2-(Benzo[d][1,3]dithiol-2-ylidene)cyclohexanone
83785-23-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 361.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 154.9±17.9 °C
Index of Refraction: 1.701
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.98
ACD/KOC (pH 5.5): 1577.05
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.98
ACD/KOC (pH 7.4): 1577.05
Polar Surface Area: 68 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 183.4±3.0 cm3

Click to predict properties on the Chemicalize site






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