ChemSpider 2D Image | 4-[(3R,5S)-Adamantan-1-yl]-2-phenyl-1,3-thiazole | C19H21NS

4-[(3R,5S)-Adamantan-1-yl]-2-phenyl-1,3-thiazole

  • Molecular FormulaC19H21NS
  • Average mass295.442 Da
  • Monoisotopic mass295.139465 Da
  • ChemSpider ID57314737

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(3R,5S)-Adamantan-1-yl]-2-phenyl-1,3-thiazol [German] [ACD/IUPAC Name]
4-[(3R,5S)-Adamantan-1-yl]-2-phenyl-1,3-thiazole [ACD/IUPAC Name]
4-[(3R,5S)-Adamantan-1-yl]-2-phényl-1,3-thiazole [French] [ACD/IUPAC Name]
Thiazole, 2-phenyl-4-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
4-(1-ADAMANTYL)-2-PHENYL-1,3-THIAZOLE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 444.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 219.0±15.7 °C
Index of Refraction: 1.630
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9663.63
ACD/KOC (pH 5.5): 24773.03
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9677.08
ACD/KOC (pH 7.4): 24807.51
Polar Surface Area: 41 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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