Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 4-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperidine | C19H23NS


  • Molecular FormulaC19H23NS
  • Average mass297.458 Da
  • Monoisotopic mass297.155000 Da
  • ChemSpider ID26286009

More details:

Date of deprecation: 12:54, Mar 22, 2013
Reason for deprecation: Deprecate record: I added this based on a Wikipedia article for Vortioxetine. Subsquent feedback shows that this structure is erroneous (it should have a piperazine not a piperdine - to be Vortioxetine). Now deprecated as there are no verifiable supporting datasources.

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

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

Density: 1.1±0.0 g/cm3
Boiling Point: 405.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 65.8±0.0 kJ/mol
Flash Point: 199.3±0.0 °C
Index of Refraction: 1.617
Molar Refractivity: 93.5±0.0 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 20.15
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 25.93
ACD/KOC (pH 7.4): 66.68
Polar Surface Area: 37 Å2
Polarizability: 37.0±0.0 10-24cm3
Surface Tension: 47.8±0.0 dyne/cm
Molar Volume: 266.9±0.0 cm3

Click to predict properties on the Chemicalize site