ChemSpider 2D Image | (5aS)-6-Methyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine | C11H15N3S

(5aS)-6-Methyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine

  • Molecular FormulaC11H15N3S
  • Average mass221.322 Da
  • Monoisotopic mass221.098663 Da
  • ChemSpider ID23223337

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5aS)-6-Methyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]chinolin-2-amin [German] [ACD/IUPAC Name]
(5aS)-6-Méthyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinoléin-2-amine [French] [ACD/IUPAC Name]
(5aS)-6-Methyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine [ACD/IUPAC Name]
Thiazolo[4,5-f]quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-methyl-, (5aS)- [ACD/Index Name]
(S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]quinolin-2-ylamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL348012/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 428.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.1±25.4 °C
Index of Refraction: 1.660
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.94
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 130.40
Polar Surface Area: 70 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 170.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement