ChemSpider 2D Image | MFCD01823311 | C11H15NO2S

MFCD01823311

  • Molecular FormulaC11H15NO2S
  • Average mass225.307 Da
  • Monoisotopic mass225.082352 Da
  • ChemSpider ID21426859

  • 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)thio]propanoic acid
(R)-2-Amino-3-((4-methylbenzyl)thio)propanoic acid
42294-52-0 [RN]
H-Cys(4-Mbzl)-OH
L-Cysteine, S-[(4-methylphenyl)methyl]- [ACD/Index Name]
MFCD01823311
S-(4-Methylbenzyl)-L-cystein [German] [ACD/IUPAC Name]
S-(4-Methylbenzyl)-L-cysteine [ACD/IUPAC Name]
S-(4-Méthylbenzyl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-AMINO-3-[(4-METHYLPHENYL)METHYLSULFANYL]PROPANOIC ACID
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 392.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 191.4±27.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 62.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 184.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement