ChemSpider 2D Image | 1-(Isothiazol-5-yl)ethanone | C5H5NOS

1-(Isothiazol-5-yl)ethanone

  • Molecular FormulaC5H5NOS
  • Average mass127.164 Da
  • Monoisotopic mass127.009186 Da
  • ChemSpider ID21374045

More details:

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

1-(1,2-Thiazol-5-yl)ethanon [German] [ACD/IUPAC Name]
1-(1,2-Thiazol-5-yl)ethanone [ACD/IUPAC Name]
1-(1,2-Thiazol-5-yl)éthanone [French] [ACD/IUPAC Name]
1-(Isothiazol-5-yl)ethanone
3684-00-2 [RN]
Ethanone, 1-(5-isothiazolyl)- [ACD/Index Name]
?1-Isothiazol-5-yl-ethanone
1-(1,2-thiazol-5-yl)ethan-1-one
1-(5-isothiazolyl)Ethanone
1-(isothiazol-5-yl)ethan-1-one
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: 117.4±23.0 °C at 760 mmHg
    Vapour Pressure: 17.5±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.6±3.0 kJ/mol
    Flash Point: 24.8±22.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 32.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 2.38
    ACD/KOC (pH 5.5): 64.73
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 64.77
    Polar Surface Area: 58 Å2
    Polarizability: 13.0±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 103.7±3.0 cm3

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