ChemSpider 2D Image | 4,5-Dimethyl-2-{[(3-phenylpropyl)sulfonyl]methyl}-1,3-thiazole | C15H19NO2S2

4,5-Dimethyl-2-{[(3-phenylpropyl)sulfonyl]methyl}-1,3-thiazole

  • Molecular FormulaC15H19NO2S2
  • Average mass309.447 Da
  • Monoisotopic mass309.085724 Da
  • ChemSpider ID30440098

More details:

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

4,5-Dimethyl-2-{[(3-phenylpropyl)sulfonyl]methyl}-1,3-thiazol [German] [ACD/IUPAC Name]
4,5-Dimethyl-2-{[(3-phenylpropyl)sulfonyl]methyl}-1,3-thiazole [ACD/IUPAC Name]
4,5-Diméthyl-2-{[(3-phénylpropyl)sulfonyl]méthyl}-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 4,5-dimethyl-2-[[(3-phenylpropyl)sulfonyl]methyl]- [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: 509.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 261.8±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.20
ACD/KOC (pH 5.5): 1669.58
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.55
ACD/KOC (pH 7.4): 1672.19
Polar Surface Area: 84 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 252.3±3.0 cm3

Click to predict properties on the Chemicalize site


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