Found 70 results

Search term: MF = 'C_{21}H_{19}NS'
ChemSpider 2D Image | (6S,6aR,9aR)-6-(3-Methyl-2-thienyl)-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline | C21H19NS

(6S,6aR,9aR)-6-(3-Methyl-2-thienyl)-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline

  • Molecular FormulaC21H19NS
  • Average mass317.447 Da
  • Monoisotopic mass317.123810 Da
  • ChemSpider ID62622382

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,6aR,9aR)-6-(3-Methyl-2-thienyl)-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(6S,6aR,9aR)-6-(3-Méthyl-2-thiényl)-6,6a,7,9a-tétrahydro-5H-benzo[h]cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(6S,6aR,9aR)-6-(3-Methyl-2-thienyl)-6,6a,7,9a-tetrahydro-5H-benzo[h]cyclopenta[c]quinoline [ACD/IUPAC Name]
5H-Benzo[h]cyclopenta[c]quinoline, 6,6a,7,9a-tetrahydro-6-(3-methyl-2-thienyl)-, (6S,6aR,9aR)- [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: 502.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.0±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5732.49
ACD/KOC (pH 5.5): 17016.00
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5776.53
ACD/KOC (pH 7.4): 17146.73
Polar Surface Area: 40 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 263.9±3.0 cm3

Click to predict properties on the Chemicalize site


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