ChemSpider 2D Image | 4-[4-(3-Chlorophenyl)piperazin-1-Yl]-4-Oxobutane-1-Thiol | C14H19ClN2OS

4-[4-(3-Chlorophenyl)piperazin-1-Yl]-4-Oxobutane-1-Thiol

  • Molecular FormulaC14H19ClN2OS
  • Average mass298.832 Da
  • Monoisotopic mass298.090668 Da
  • ChemSpider ID26325383

More details:

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

1-[4-(3-Chlorophenyl)-1-piperazinyl]-4-sulfanyl-1-butanone [ACD/IUPAC Name]
1-[4-(3-Chlorophényl)-1-pipérazinyl]-4-sulfanyl-1-butanone [French] [ACD/IUPAC Name]
1-[4-(3-Chlorphenyl)-1-piperazinyl]-4-sulfanyl-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-mercapto- [ACD/Index Name]
4-[4-(3-Chlorophenyl)piperazin-1-Yl]-4-Oxobutane-1-Thiol
2A2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.03
ACD/KOC (pH 5.5): 1250.76
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.88
ACD/KOC (pH 7.4): 1249.53
Polar Surface Area: 62 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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