ChemSpider 2D Image | 3-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-5-methyl-1,2-oxazole | C11H9Cl2NOS

3-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-5-methyl-1,2-oxazole

  • Molecular FormulaC11H9Cl2NOS
  • Average mass274.166 Da
  • Monoisotopic mass272.978180 Da
  • ChemSpider ID30587995

More details:






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

3-{[(2,6-Dichlorophenyl)sulfanyl]methyl}-5-methyl-1,2-oxazole [ACD/IUPAC Name]
3-{[(2,6-Dichlorophényl)sulfanyl]méthyl}-5-méthyl-1,2-oxazole [French] [ACD/IUPAC Name]
3-{[(2,6-Dichlorphenyl)sulfanyl]methyl}-5-methyl-1,2-oxazol [German] [ACD/IUPAC Name]
Isoxazole, 3-[[(2,6-dichlorophenyl)thio]methyl]-5-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 378.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 182.7±27.9 °C
Index of Refraction: 1.625
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 961.39
ACD/KOC (pH 5.5): 4750.73
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 961.39
ACD/KOC (pH 7.4): 4750.73
Polar Surface Area: 51 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

Click to predict properties on the Chemicalize site






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