ChemSpider 2D Image | 2-(4-Methylphenyl)-1,3-benzodithiole-2-carbaldehyde | C15H12OS2

2-(4-Methylphenyl)-1,3-benzodithiole-2-carbaldehyde

  • Molecular FormulaC15H12OS2
  • Average mass272.385 Da
  • Monoisotopic mass272.032959 Da
  • ChemSpider ID28702641

More details:

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

1,3-Benzodithiole-2-carboxaldehyde, 2-(4-methylphenyl)- [ACD/Index Name]
2-(4-Methylphenyl)-1,3-benzodithiol-2-carbaldehyd [German] [ACD/IUPAC Name]
2-(4-Methylphenyl)-1,3-benzodithiole-2-carbaldehyde [ACD/IUPAC Name]
2-(4-Méthylphényl)-1,3-benzodithiole-2-carbaldéhyde [French] [ACD/IUPAC Name]
2-(4-Methylphenyl)-2H-1,3-benzodithiole-2-carbaldehyde
89572-27-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 186.7±18.8 °C
Index of Refraction: 1.734
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1168.99
ACD/KOC (pH 5.5): 5464.36
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1168.99
ACD/KOC (pH 7.4): 5464.36
Polar Surface Area: 68 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site


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