ChemSpider 2D Image | 5-Ethyl-1,3,4-thiadiazol-2(3H)-one | C4H6N2OS

5-Ethyl-1,3,4-thiadiazol-2(3H)-one

  • Molecular FormulaC4H6N2OS
  • Average mass130.168 Da
  • Monoisotopic mass130.020081 Da
  • ChemSpider ID26457802

More details:

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

1,3,4-Thiadiazol-2(3H)-one, 5-ethyl- [ACD/Index Name]
1330756-14-3 [RN]
5-Ethyl-1,3,4-thiadiazol-2(3H)-on [German] [ACD/IUPAC Name]
5-Ethyl-1,3,4-thiadiazol-2(3H)-one [ACD/IUPAC Name]
5-Éthyl-1,3,4-thiadiazol-2(3H)-one [French] [ACD/IUPAC Name]
[1330756-14-3] [RN]
5-ethyl-1,3,4-thiadiazol-2-ol|1,3,4-thiadiazol-2-ol, 5-ethyl-
5-ethyl-3H-1,3,4-thiadiazol-2-one
MFCD19982735 [MDL number]
MFCD22207751 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 288.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 128.0±22.6 °C
    Index of Refraction: 1.582
    Molar Refractivity: 32.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.76
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.41
    ACD/LogD (pH 7.4): -1.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 74 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 61.3±3.0 dyne/cm
    Molar Volume: 96.6±3.0 cm3

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