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Search term: PABBAFSXFPCCNL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-({[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]sulfonyl}methyl)-4-methylcyclohexanol | C15H23NO3S2

1-({[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]sulfonyl}methyl)-4-methylcyclohexanol

  • Molecular FormulaC15H23NO3S2
  • Average mass329.478 Da
  • Monoisotopic mass329.111938 Da
  • ChemSpider ID35166503

More details:






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

1-({[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]sulfonyl}methyl)-4-methylcyclohexanol [German] [ACD/IUPAC Name]
1-({[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]sulfonyl}methyl)-4-methylcyclohexanol [ACD/IUPAC Name]
1-({[(2-Cyclopropyl-1,3-thiazol-4-yl)méthyl]sulfonyl}méthyl)-4-méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[[[(2-cyclopropyl-4-thiazolyl)methyl]sulfonyl]methyl]-4-methyl- [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: 549.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.2±24.6 °C
Index of Refraction: 1.586
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.90
ACD/KOC (pH 5.5): 296.05
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.90
ACD/KOC (pH 7.4): 296.06
Polar Surface Area: 104 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

Click to predict properties on the Chemicalize site






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