ChemSpider 2D Image | 6-Chloro-N-(2-ethylhexyl)-4-thiochromanamine | C17H26ClNS

6-Chloro-N-(2-ethylhexyl)-4-thiochromanamine

  • Molecular FormulaC17H26ClNS
  • Average mass311.913 Da
  • Monoisotopic mass311.147461 Da
  • ChemSpider ID38287613

More details:

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

2H-1-Benzothiopyran-4-amine, 6-chloro-N-(2-ethylhexyl)-3,4-dihydro- [ACD/Index Name]
6-Chlor-N-(2-ethylhexyl)-4-thiochromanamin [German] [ACD/IUPAC Name]
6-Chloro-N-(2-ethylhexyl)-4-thiochromanamine [ACD/IUPAC Name]
6-Chloro-N-(2-éthylhexyl)-4-thiochromanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.559
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 55.28
ACD/KOC (pH 5.5): 93.44
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 1711.63
ACD/KOC (pH 7.4): 2893.07
Polar Surface Area: 37 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

Click to predict properties on the Chemicalize site


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