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ChemSpider 2D Image | 4-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium | C18H23N2S

4-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium

  • Molecular FormulaC18H23N2S
  • Average mass299.453 Da
  • Monoisotopic mass299.157654 Da
  • ChemSpider ID30785757

  • Charge - Charge

More details:

Date of deprecation: 12:00, Apr 25, 2017
Reason for deprecation: Deprecate record: unnecessary charge-imbalance.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

4-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium [German] [ACD/IUPAC Name]
4-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium [ACD/IUPAC Name]
4-{2-[(2,4-Diméthylphényl)sulfanyl]phényl}pipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-, conjugate monoacid [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of vortioxetine, obtained by protonation of the secondary amino function. ChEBI CHEBI:76017

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

Density:
Boiling Point: 424.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 11.95
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 112.25
ACD/KOC (pH 7.4): 471.58
Polar Surface Area: 45 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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