ChemSpider 2D Image | 2-(1,3-Thiazol-2-yl)-3-butyn-2-ol | C7H7NOS

2-(1,3-Thiazol-2-yl)-3-butyn-2-ol

  • Molecular FormulaC7H7NOS
  • Average mass153.202 Da
  • Monoisotopic mass153.024841 Da
  • ChemSpider ID57423131

More details:

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

1202769-68-3 [RN]
2-(1,3-Thiazol-2-yl)-3-butin-2-ol [German] [ACD/IUPAC Name]
2-(1,3-Thiazol-2-yl)-3-butyn-2-ol [ACD/IUPAC Name]
2-(1,3-Thiazol-2-yl)-3-butyn-2-ol [French] [ACD/IUPAC Name]
2-(1,3-thiazol-2-yl)but-3-yn-2-ol
2-Thiazolemethanol, α-ethynyl-α-methyl- [ACD/Index Name]
(R)-2-(Thiazol-2-Yl)But-3-Yn-2-Ol
(S)-2-(Thiazol-2-Yl)But-3-Yn-2-Ol
1202769-70-7 [RN]
1202769-72-9 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 233.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.7±3.0 kJ/mol
    Flash Point: 94.9±24.6 °C
    Index of Refraction: 1.589
    Molar Refractivity: 40.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.54
    ACD/KOC (pH 5.5): 86.07
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.55
    ACD/KOC (pH 7.4): 86.10
    Polar Surface Area: 61 Å2
    Polarizability: 16.0±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 120.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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