ChemSpider 2D Image | 2-{[(1-Hydroxycyclohexyl)methyl]sulfanyl}propanoic acid | C10H18O3S

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

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID48651417

More details:

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

2-{[(1-Hydroxycyclohexyl)methyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-{[(1-Hydroxycyclohexyl)methyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-{[(1-hydroxycyclohexyl)méthyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[(1-hydroxycyclohexyl)methyl]thio]- [ACD/Index Name]
1494060-38-6 [RN]
MFCD21189031

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 373.2±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±6.0 kJ/mol
    Flash Point: 179.5±20.9 °C
    Index of Refraction: 1.544
    Molar Refractivity: 57.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.48
    ACD/LogD (pH 7.4): -1.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 181.4±3.0 cm3

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