ChemSpider 2D Image | tert-butyl 2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate | C18H23N3O2S

tert-butyl 2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

  • Molecular FormulaC18H23N3O2S
  • Average mass345.459 Da
  • Monoisotopic mass345.151093 Da
  • ChemSpider ID21471514

More details:

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

1,4,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-phenyl-3-thioxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-en-8-carboxylat [German] [ACD/IUPAC Name]
2-Phényl-3-thioxo-1,4,8-triazaspiro[4.5]déc-1-ène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
892289-95-1 [RN]
tert-butyl 2-phenyl-3-thioxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
[892289-95-1] [RN]
2-Phenyl-3-thioxo-1,4,8-triaza-spiro[4.5]dec-1-ene-8-carboxylic acid tert-butyl ester
BS-3065
MFCD14726759 [MDL number]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 465.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 235.2±31.5 °C
    Index of Refraction: 1.624
    Molar Refractivity: 98.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 398.49
    ACD/KOC (pH 5.5): 2527.91
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 398.61
    ACD/KOC (pH 7.4): 2528.62
    Polar Surface Area: 86 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 45.1±7.0 dyne/cm
    Molar Volume: 277.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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