ChemSpider 2D Image | 4-(Benzo[b]thiophen-5-yl)-3,5-dimethylisoxazole | C13H11NOS

4-(Benzo[b]thiophen-5-yl)-3,5-dimethylisoxazole

  • Molecular FormulaC13H11NOS
  • Average mass229.298 Da
  • Monoisotopic mass229.056137 Da
  • ChemSpider ID28600015

More details:

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

1158208-69-5 [RN]
4-(1-Benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazol [German] [ACD/IUPAC Name]
4-(1-Benzothiophen-5-yl)-3,5-dimethyl-1,2-oxazole [ACD/IUPAC Name]
4-(1-Benzothiophén-5-yl)-3,5-diméthyl-1,2-oxazole [French] [ACD/IUPAC Name]
4-(Benzo[b]thiophen-5-yl)-3,5-dimethylisoxazole
Isoxazole, 4-benzo[b]thien-5-yl-3,5-dimethyl- [ACD/Index Name]
MFCD16877481 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 177.0±24.6 °C
Index of Refraction: 1.637
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 832.53
ACD/KOC (pH 5.5): 4285.73
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 832.53
ACD/KOC (pH 7.4): 4285.73
Polar Surface Area: 54 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 186.9±3.0 cm3

Click to predict properties on the Chemicalize site


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