ChemSpider 2D Image | Tropine-3-thiol | C8H15NS

Tropine-3-thiol

  • Molecular FormulaC8H15NS
  • Average mass157.276 Da
  • Monoisotopic mass157.092514 Da
  • ChemSpider ID28428692

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-thiol [German] [ACD/IUPAC Name]
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]octane-3-thiol [ACD/IUPAC Name]
(3-endo)-8-Méthyl-8-azabicyclo[3.2.1]octane-3-thiol [French] [ACD/IUPAC Name]
228573-90-8 [RN]
8-Azabicyclo[3.2.1]octane-3-thiol, 8-methyl-, (3-endo) [ACD/Index Name]
Tropine-3-thiol
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
[228573-90-8] [RN]
MFCD12965023

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

Density: 1.1±0.1 g/cm3
Boiling Point: 216.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 84.4±25.4 °C
Index of Refraction: 1.551
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 42 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 146.2±5.0 cm3

Click to predict properties on the Chemicalize site


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