ChemSpider 2D Image | (1-Cyclopentyl-5-ethoxy-1H-pyrazol-3-yl)methanethiol | C11H18N2OS

(1-Cyclopentyl-5-ethoxy-1H-pyrazol-3-yl)methanethiol

  • Molecular FormulaC11H18N2OS
  • Average mass226.338 Da
  • Monoisotopic mass226.113983 Da
  • ChemSpider ID97756056

More details:

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

(1-Cyclopentyl-5-ethoxy-1H-pyrazol-3-yl)methanethiol [ACD/IUPAC Name]
(1-Cyclopentyl-5-éthoxy-1H-pyrazol-3-yl)méthanethiol [French] [ACD/IUPAC Name]
(1-Cyclopentyl-5-ethoxy-1H-pyrazol-3-yl)methanthiol [German] [ACD/IUPAC Name]
1H-Pyrazole-3-methanethiol, 1-cyclopentyl-5-ethoxy- [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: 376.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 181.4±23.7 °C
Index of Refraction: 1.615
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.42
ACD/KOC (pH 5.5): 994.97
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 84.04
ACD/KOC (pH 7.4): 771.19
Polar Surface Area: 66 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 182.5±7.0 cm3

Click to predict properties on the Chemicalize site


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