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Search term: C9H16O3S (Found by molecular formula)
ChemSpider 2D Image | 2-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid | C9H16O3S

2-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid

  • Molecular FormulaC9H16O3S
  • Average mass204.286 Da
  • Monoisotopic mass204.082016 Da
  • ChemSpider ID48655315

More details:

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

2-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-{[(1-hydroxycyclopentyl)méthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[(1-hydroxycyclopentyl)methyl]thio]- [ACD/Index Name]
1484360-07-7 [RN]
MFCD21189046

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 359.1±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±6.0 kJ/mol
    Flash Point: 171.0±20.9 °C
    Index of Refraction: 1.557
    Molar Refractivity: 52.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): -0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.54
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 163.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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