ChemSpider 2D Image | Ethyl 1-(isopropylcarbamothioyl)-4-piperidinecarboxylate | C12H22N2O2S

Ethyl 1-(isopropylcarbamothioyl)-4-piperidinecarboxylate

  • Molecular FormulaC12H22N2O2S
  • Average mass258.380 Da
  • Monoisotopic mass258.140198 Da
  • ChemSpider ID21847194

More details:

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

1-(Isopropylcarbamothioyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[(1-methylethyl)amino]thioxomethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(isopropylcarbamothioyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(isopropylcarbamothioyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1018188-21-0 [RN]
1-Isopropylthiocarbamoyl-piperidine-4-carboxylic acid ethyl ester
AGN-PC-05Q5KS
AKOS025136934
ETHYL 1-(ISOPROPYLCARBAMOTHIOYL)PIPERIDINE-4-CARBOXYLATE
ethyl 1-(propan-2-ylcarbamothioyl)piperidine-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 334.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.9±30.7 °C
    Index of Refraction: 1.526
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 14.07
    ACD/KOC (pH 5.5): 231.01
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 14.07
    ACD/KOC (pH 7.4): 231.01
    Polar Surface Area: 74 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 233.0±3.0 cm3

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