ChemSpider 2D Image | N-[1-(3-Thienyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine | C15H17NS2

N-[1-(3-Thienyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine

  • Molecular FormulaC15H17NS2
  • Average mass275.432 Da
  • Monoisotopic mass275.080231 Da
  • ChemSpider ID40371252

More details:

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

1H-2-Benzothiopyran-4-amine, 3,4-dihydro-N-[1-(3-thienyl)ethyl]- [ACD/Index Name]
N-[1-(3-Thienyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amin [German] [ACD/IUPAC Name]
N-[1-(3-Thienyl)ethyl]-3,4-dihydro-1H-isothiochromen-4-amine [ACD/IUPAC Name]
N-[1-(3-Thiényl)éthyl]-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: 433.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.8±28.7 °C
Index of Refraction: 1.649
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: 4.25
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 35.14
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 329.42
ACD/KOC (pH 7.4): 1637.93
Polar Surface Area: 66 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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