ChemSpider 2D Image | 1-[(3-Methyl-2-thienyl)methyl]-2-(2-thienyl)azepane | C16H21NS2

1-[(3-Methyl-2-thienyl)methyl]-2-(2-thienyl)azepane

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID23014266

More details:

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

1-[(3-Methyl-2-thienyl)methyl]-2-(2-thienyl)azepan [German] [ACD/IUPAC Name]
1-[(3-Methyl-2-thienyl)methyl]-2-(2-thienyl)azepane [ACD/IUPAC Name]
1-[(3-Méthyl-2-thiényl)méthyl]-2-(2-thiényl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-[(3-methyl-2-thienyl)methyl]-2-(2-thienyl)- [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: 395.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.7±27.9 °C
Index of Refraction: 1.599
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 27.28
ACD/KOC (pH 5.5): 116.92
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 905.01
ACD/KOC (pH 7.4): 3878.39
Polar Surface Area: 60 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 253.0±3.0 cm3

Click to predict properties on the Chemicalize site


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