ChemSpider 2D Image | 2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methoxy-4H-pyran-4-one | C9H9N3O3S2

2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methoxy-4H-pyran-4-one

  • Molecular FormulaC9H9N3O3S2
  • Average mass271.316 Da
  • Monoisotopic mass271.008545 Da
  • ChemSpider ID53617283

More details:

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

2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methoxy-4H-pyran-4-on [German] [ACD/IUPAC Name]
2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methoxy-4H-pyran-4-one [ACD/IUPAC Name]
2-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-5-méthoxy-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-5-methoxy- [ACD/Index Name]
1949816-69-6 [RN]
2-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-5-methoxy-4H-pyran-4-one
MFCD30004081

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 543.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 282.4±32.9 °C
    Index of Refraction: 1.669
    Molar Refractivity: 65.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.39
    ACD/KOC (pH 5.5): 44.02
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.39
    ACD/KOC (pH 7.4): 44.10
    Polar Surface Area: 141 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 80.1±5.0 dyne/cm
    Molar Volume: 175.3±5.0 cm3

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