ChemSpider 2D Image | N-[1-(5-Methyl-2-thienyl)-2-propanyl]-4-thiochromanamine | C17H21NS2

N-[1-(5-Methyl-2-thienyl)-2-propanyl]-4-thiochromanamine

  • Molecular FormulaC17H21NS2
  • Average mass303.485 Da
  • Monoisotopic mass303.111542 Da
  • ChemSpider ID46249308

More details:

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

2H-1-Benzothiopyran-4-amine, 3,4-dihydro-N-[1-methyl-2-(5-methyl-2-thienyl)ethyl]- [ACD/Index Name]
N-[1-(5-Methyl-2-thienyl)-2-propanyl]-4-thiochromanamin [German] [ACD/IUPAC Name]
N-[1-(5-Methyl-2-thienyl)-2-propanyl]-4-thiochromanamine [ACD/IUPAC Name]
N-[1-(5-Méthyl-2-thiényl)-2-propanyl]-4-thiochromanamine [French] [ACD/IUPAC 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: 428.6±45.0 °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: 213.0±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 6.50
ACD/KOC (pH 5.5): 24.19
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 312.51
ACD/KOC (pH 7.4): 1163.18
Polar Surface Area: 66 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 258.2±5.0 cm3

Click to predict properties on the Chemicalize site


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