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Search term: C9H16O3S (Found by molecular formula)
ChemSpider 2D Image | 3-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid | C9H16O3S

3-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid

  • Molecular FormulaC9H16O3S
  • Average mass204.286 Da
  • Monoisotopic mass204.082016 Da
  • ChemSpider ID48655316

More details:

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

3-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[(1-Hydroxycyclopentyl)methyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{[(1-hydroxycyclopentyl)méthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(1-hydroxycyclopentyl)methyl]thio]- [ACD/Index Name]
1481681-29-1 [RN]
MFCD21189047

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 381.5±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.8±6.0 kJ/mol
    Flash Point: 184.5±20.9 °C
    Index of Refraction: 1.559
    Molar Refractivity: 52.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.02
    ACD/LogD (pH 5.5): 0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.14
    ACD/LogD (pH 7.4): -1.76
    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: 56.4±3.0 dyne/cm
    Molar Volume: 163.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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