ChemSpider 2D Image | Methyl 3-(1,3-thiazol-2-yl)-2-propynoate | C7H5NO2S

Methyl 3-(1,3-thiazol-2-yl)-2-propynoate

  • Molecular FormulaC7H5NO2S
  • Average mass167.185 Da
  • Monoisotopic mass167.004105 Da
  • ChemSpider ID28544355

More details:

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

2-Propynoic acid, 3-(2-thiazolyl)-, methyl ester [ACD/Index Name]
3-(1,3-Thiazol-2-yl)-2-propynoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(1,3-thiazol-2-yl)-2-propynoate [ACD/IUPAC Name]
Methyl-3-(1,3-thiazol-2-yl)propiolat [German] [ACD/IUPAC Name]
1315366-12-1 [RN]
methyl 3-(1,3-thiazol-2-yl)prop-2-ynoate
MFCD19382332

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 257.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±3.0 kJ/mol
    Flash Point: 109.5±22.6 °C
    Index of Refraction: 1.569
    Molar Refractivity: 41.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.17
    ACD/KOC (pH 5.5): 156.47
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 8.17
    ACD/KOC (pH 7.4): 156.47
    Polar Surface Area: 67 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 58.7±5.0 dyne/cm
    Molar Volume: 125.4±5.0 cm3

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