ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-ylmethanethiol | C8H15NS

1-Azabicyclo[2.2.2]oct-3-ylmethanethiol

  • Molecular FormulaC8H15NS
  • Average mass157.276 Da
  • Monoisotopic mass157.092514 Da
  • ChemSpider ID24196473

More details:

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

1-Azabicyclo[2.2.2]oct-3-ylmethanethiol [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-ylméthanethiol [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-ylmethanthiol [German] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octane-3-methanethiol [ACD/Index Name]
(1-Azabicyclo[2.2.2]octan-3-yl)methanethiol
{1-AZABICYCLO[2.2.2]OCTAN-3-YL}METHANETHIOL
1-AZABICYCLO[2.2.2]OCTAN-3-YLMETHANETHIOL
1-Azabicyclo[2.2.2]octane-3-methanethiol (9CI)
774523-64-7 [RN]
MFCD18806552
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 234.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 95.3±19.8 °C
Index of Refraction: 1.554
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
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: 40.1±5.0 dyne/cm
Molar Volume: 145.6±5.0 cm3

Click to predict properties on the Chemicalize site


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