ChemSpider 2D Image | 2-(5-Fluoro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl 4-methyl-1-piperazinecarbodithioate | C16H18FN3O2S2

2-(5-Fluoro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl 4-methyl-1-piperazinecarbodithioate

  • Molecular FormulaC16H18FN3O2S2
  • Average mass367.461 Da
  • Monoisotopic mass367.082458 Da
  • ChemSpider ID30657376

More details:

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

1-Piperazinecarbodithioic acid, 4-methyl-, 2-(5-fluoro-2,3-dihydro-2,3-dioxo-1H-indol-1-yl)ethyl ester [ACD/Index Name]
2-(5-Fluor-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl-4-methyl-1-piperazincarbodithioat [German] [ACD/IUPAC Name]
2-(5-Fluoro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)ethyl 4-methyl-1-piperazinecarbodithioate [ACD/IUPAC Name]
4-Méthyl-1-pipérazinecarbodithioate de 2-(5-fluoro-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.6±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.37
ACD/KOC (pH 7.4): 126.43
Polar Surface Area: 101 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

Click to predict properties on the Chemicalize site


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