ChemSpider 2D Image | 1-(2-Hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazinediium | C23H27F3N2OS

1-(2-Hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazinediium

  • Molecular FormulaC23H27F3N2OS
  • Average mass436.532 Da
  • Monoisotopic mass436.178528 Da
  • ChemSpider ID21433558

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-(2-Hydroxyethyl)-4-{(3Z)-3-[2-(trifluormethyl)-9H-thioxanthen-9-yliden]propyl}piperazindiium [German] [ACD/IUPAC Name]
1-(2-Hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazinediium [ACD/IUPAC Name]
1-(2-Hydroxyéthyl)-4-{(3Z)-3-[2-(trifluorométhyl)-9H-thioxanthén-9-ylidène]propyl}pipérazinediium [French] [ACD/IUPAC Name]
1-Piperazineethanol, 4-[(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, conjugate diacid [ACD/Index Name]
(Z)-flupenthixol dication
1-(2-hydroxyethyl)-4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazine-1,4-diium
cis-(Z)-flupenthixol dication
cis-flupenthixol dication
cis-flupenthixol(2+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion obtained by protonation of the two tertiary amino groups of cis-flupenthixol. ChEBI CHEBI:180488

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

Density:
Boiling Point: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 33.20
ACD/KOC (pH 5.5): 137.29
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1061.23
ACD/KOC (pH 7.4): 4387.90
Polar Surface Area: 54 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement