ChemSpider 2D Image | 2-[(4-Methylphenyl)sulfanyl]-1-(2-thienyl)ethanone | C13H12OS2

2-[(4-Methylphenyl)sulfanyl]-1-(2-thienyl)ethanone

  • Molecular FormulaC13H12OS2
  • Average mass248.364 Da
  • Monoisotopic mass248.032959 Da
  • ChemSpider ID28714700

More details:






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

2-[(4-Methylphenyl)sulfanyl]-1-(2-thienyl)ethanon [German] [ACD/IUPAC Name]
2-[(4-Methylphenyl)sulfanyl]-1-(2-thienyl)ethanone [ACD/IUPAC Name]
2-[(4-Méthylphényl)sulfanyl]-1-(2-thiényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(4-methylphenyl)thio]-1-(2-thienyl)- [ACD/Index Name]
1-(Thiophen-2-yl)-2-(p-tolylthio)ethanone
2-[(4-Methylphenyl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
99236-24-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.5±24.6 °C
Index of Refraction: 1.633
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.81
ACD/KOC (pH 5.5): 2974.45
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.81
ACD/KOC (pH 7.4): 2974.45
Polar Surface Area: 71 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

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