ChemSpider 2D Image | ({5-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}sulfanyl)acetic acid | C16H13N3O4S

({5-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}sulfanyl)acetic acid

  • Molecular FormulaC16H13N3O4S
  • Average mass343.357 Da
  • Monoisotopic mass343.062683 Da
  • ChemSpider ID26456504

More details:

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

({5-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}sulfanyl)acetic acid [ACD/IUPAC Name]
({5-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]thio]- [ACD/Index Name]
Acide ({5-[3-(4-méthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}sulfanyl)acétique [French] [ACD/IUPAC Name]
({5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}sulfanyl)acetic acid
({5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}thio)acetic acid
[1325306-47-5] [RN]
{5-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-pyridin-2-ylsulfanyl}-acetic acid
1325306-47-5 [RN]
2-((5-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)pyridin-2-yl)thio)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 586.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 308.5±32.9 °C
    Index of Refraction: 1.672
    Molar Refractivity: 87.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.87
    ACD/LogD (pH 7.4): -0.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 82.5±5.0 dyne/cm
    Molar Volume: 233.2±5.0 cm3

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