ChemSpider 2D Image | (2S)-2-(Acetylsulfanyl)-4-methylpentanoic acid | C8H14O3S

(2S)-2-(Acetylsulfanyl)-4-methylpentanoic acid

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID29356842

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Acetylsulfanyl)-4-methylpentanoic acid [ACD/IUPAC Name]
(2S)-2-(Acetylsulfanyl)-4-methylpentansäure [German] [ACD/IUPAC Name]
122999-39-7 [RN]
Acide (2S)-2-(acétylsulfanyl)-4-méthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-(acetylthio)-4-methyl-, (2S)- [ACD/Index Name]
(S)-2-(ACETYLTHIO)-4-METHYLPENTANOIC ACID
MFCD18711431

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 286.6±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 57.8±6.0 kJ/mol
    Flash Point: 127.1±22.6 °C
    Index of Refraction: 1.494
    Molar Refractivity: 48.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): -0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.20
    ACD/LogD (pH 7.4): -1.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 167.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement