ChemSpider 2D Image | N-[(5-Methyl-2-thienyl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine | C15H17NS2

N-[(5-Methyl-2-thienyl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine

  • Molecular FormulaC15H17NS2
  • Average mass275.432 Da
  • Monoisotopic mass275.080231 Da
  • ChemSpider ID39561689

More details:

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

1H-2-Benzothiopyran-4-amine, 3,4-dihydro-N-[(5-methyl-2-thienyl)methyl]- [ACD/Index Name]
N-[(5-Methyl-2-thienyl)methyl]-3,4-dihydro-1H-isothiochromen-4-amin [German] [ACD/IUPAC Name]
N-[(5-Methyl-2-thienyl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine [ACD/IUPAC Name]
N-[(5-Méthyl-2-thiényl)méthyl]-3,4-dihydro-1H-isothiochromén-4-amine [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: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.2±28.7 °C
Index of Refraction: 1.653
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 17.22
ACD/KOC (pH 5.5): 86.48
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 541.24
ACD/KOC (pH 7.4): 2717.53
Polar Surface Area: 66 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement