ChemSpider 2D Image | MFCD00671686 | C11H17NOS

MFCD00671686

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID24603099

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-3-[(4-methylbenzyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
(2R)-2-Amino-3-[(4-methylbenzyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-[(4-méthylbenzyl)sulfanyl]-1-propanol [French] [ACD/IUPAC Name]
(2R)-2-Amino-3-[(4-methylbenzyl)sulfanyl]propan-1-ol
1-Propanol, 2-amino-3-[[(4-methylphenyl)methyl]thio]-, (2R)- [ACD/Index Name]
438237-83-3 [RN]
H-CYS(CH3BZL)-OL
H-CYSTEINOL(4-MEBZL)
MFCD00671686
(2R)-2-amino-3-[(4-methylphenyl)methylsulfanyl]propan-1-ol
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 372.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 179.3±26.5 °C
    Index of Refraction: 1.588
    Molar Refractivity: 62.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    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): 0.78
    ACD/BCF (pH 7.4): 1.29
    ACD/KOC (pH 7.4): 21.01
    Polar Surface Area: 72 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 187.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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