ChemSpider 2D Image | 1-[8-(Ethylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine | C21H26N2S2

1-[8-(Ethylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID21253161

More details:






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

1-[8-(Ethylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazin [German] [ACD/IUPAC Name]
1-[8-(Ethylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine [ACD/IUPAC Name]
1-[8-(Éthylsulfanyl)-10,11-dihydrodibenzo[b,f]thiépin-10-yl]-4-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[8-(ethylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.677
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 15.27
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 163.89
ACD/KOC (pH 7.4): 738.69
Polar Surface Area: 57 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

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