ChemSpider 2D Image | methiothepin(2+) | C20H26N2S2

methiothepin(2+)

  • Molecular FormulaC20H26N2S2
  • Average mass358.563 Da
  • Monoisotopic mass358.152649 Da
  • ChemSpider ID27471408

  • Charge - Charge

More details:

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

1-Methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazindiium [German] [ACD/IUPAC Name]
1-Methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium [ACD/IUPAC Name]
1-Méthyl-4-[8-(méthylsulfanyl)-10,11-dihydrodibenzo[b,f]thiépin-10-yl]pipérazinediium [French] [ACD/IUPAC Name]
methiothepin(2+)
Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, conjugate diacid [ACD/Index Name]
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium
methiothepin cation

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

CHEBI:64204 [DBID]
  • Miscellaneous

    • Chemical Class:

      A doubly-charged organic cation arising from protonation of the two tertiary amino functions of methiothepin. ChEBI CHEBI:64204

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 462.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.8±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 10.16
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 92.70
ACD/KOC (pH 7.4): 492.22
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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