ChemSpider 2D Image | 4-{[5-(Allylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoic acid | C9H11N3O3S2

4-{[5-(Allylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoic acid

  • Molecular FormulaC9H11N3O3S2
  • Average mass273.332 Da
  • Monoisotopic mass273.024170 Da
  • ChemSpider ID21782613

More details:

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

4-{[5-(Allylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[5-(Allylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[5-(allylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[5-(2-propen-1-ylthio)-1,3,4-thiadiazol-2-yl]amino]- [ACD/Index Name]
4-((5-(allylthio)-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid
4-oxo-4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
929338-75-0 [RN]
MFCD09259055

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.616
    Molar Refractivity: 66.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): -0.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.30
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 74.4±5.0 dyne/cm
    Molar Volume: 189.1±5.0 cm3

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