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Search term: FAAIBCMHMKYUAH-LURJTMIESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-(2-Pyridinylsulfanyl)propanoic acid | C8H9NO2S

(2S)-2-(2-Pyridinylsulfanyl)propanoic acid

  • Molecular FormulaC8H9NO2S
  • Average mass183.228 Da
  • Monoisotopic mass183.035400 Da
  • ChemSpider ID24541214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Pyridinylsulfanyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(2-Pyridinylsulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(2-pyridinylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(2-pyridinylthio)-, (2S)- [ACD/Index Name]
(2S)-2-(2-pyridylsulfanyl)propanoic acid
(2S)-2-(PYRIDIN-2-YLSULFANYL)PROPANOIC ACID
(S)-2-((PYRIDIN-2-YL)SULFANYL)-PROPANOIC ACID
(S)-2-(pyridin-2-ylsulfanyl)propanoic acid
(S)-2-(pyridin-2-ylsulfanyl)-propanoic acid
(S)-2-(PYRIDIN-2-YLSULFANYL)-PROPIONIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 347.4±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.9±22.3 °C
    Index of Refraction: 1.594
    Molar Refractivity: 48.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): -0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 141.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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