ChemSpider 2D Image | 1-(2,5-Dimethyl-3-thienyl)-2-[(3-methoxypropyl)sulfonyl]ethanone | C12H18O4S2

1-(2,5-Dimethyl-3-thienyl)-2-[(3-methoxypropyl)sulfonyl]ethanone

  • Molecular FormulaC12H18O4S2
  • Average mass290.399 Da
  • Monoisotopic mass290.064636 Da
  • ChemSpider ID45182278

More details:

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

1-(2,5-Dimethyl-3-thienyl)-2-[(3-methoxypropyl)sulfonyl]ethanon [German] [ACD/IUPAC Name]
1-(2,5-Dimethyl-3-thienyl)-2-[(3-methoxypropyl)sulfonyl]ethanone [ACD/IUPAC Name]
1-(2,5-Diméthyl-3-thiényl)-2-[(3-méthoxypropyl)sulfonyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(2,5-dimethyl-3-thienyl)-2-[(3-methoxypropyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.32
ACD/KOC (pH 5.5): 158.59
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.32
ACD/KOC (pH 7.4): 158.59
Polar Surface Area: 97 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site


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