ChemSpider 2D Image | (2E)-2-[(Cyclohexylcarbamothioyl)hydrazono]propanoic acid | C10H17N3O2S

(2E)-2-[(Cyclohexylcarbamothioyl)hydrazono]propanoic acid

  • Molecular FormulaC10H17N3O2S
  • Average mass243.326 Da
  • Monoisotopic mass243.104141 Da
  • ChemSpider ID30656640

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(Cyclohexylcarbamothioyl)hydrazono]propanoic acid [ACD/IUPAC Name]
(2E)-2-[(Cyclohexylcarbamothioyl)hydrazono]propansäure [German] [ACD/IUPAC Name]
Acide (2E)-2-[(cyclohexylcarbamothioyl)hydrazono]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[2-[(cyclohexylamino)thioxomethyl]hydrazinylidene]-, (2E)- [ACD/Index Name]
(2E)-2-(cyclohexylcarbamothioylhydrazinylidene)propanoic acid
(2E)-2-[2-(Cyclohexylcarbamothioyl)hydrazinylidene]propanoic acid
(2E)-2-[2-[(Cyclohexylamino)thioxomethyl]hydrazinylidene]propanoic Acid
(E)-2-(2-(cyclohexylcarbamothioyl)hydrazono)propanoic acid
1313191-88-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 389.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±6.0 kJ/mol
    Flash Point: 189.1±23.2 °C
    Index of Refraction: 1.623
    Molar Refractivity: 64.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): -1.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 106 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 181.6±7.0 cm3

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