ChemSpider 2D Image | [(5S)-5-Methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol | C10H13NO2S

[(5S)-5-Methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

  • Molecular FormulaC10H13NO2S
  • Average mass211.281 Da
  • Monoisotopic mass211.066696 Da
  • ChemSpider ID30656672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(5S)-5-Methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol [German] [ACD/IUPAC Name]
[(5S)-5-Methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol [ACD/IUPAC Name]
[(5S)-5-Méthyl-3-(3-méthyl-2-thiényl)-4,5-dihydro-1,2-oxazol-5-yl]méthanol [French] [ACD/IUPAC Name]
5-Isoxazolemethanol, 4,5-dihydro-5-methyl-3-(3-methyl-2-thienyl)-, (5S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 327.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 151.7±30.7 °C
Index of Refraction: 1.613
Molar Refractivity: 56.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.53
ACD/KOC (pH 5.5): 247.92
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.53
ACD/KOC (pH 7.4): 247.92
Polar Surface Area: 70 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 163.1±7.0 cm3

Click to predict properties on the Chemicalize site


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