ChemSpider 2D Image | (2S)-2-Sulfanylbutanoic acid | C4H8O2S

(2S)-2-Sulfanylbutanoic acid

  • Molecular FormulaC4H8O2S
  • Average mass120.170 Da
  • Monoisotopic mass120.024498 Da
  • ChemSpider ID23089781

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Sulfanylbutanoic acid [ACD/IUPAC Name]
(2S)-2-Sulfanylbutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-sulfanylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-mercapto-, (2S)- [ACD/Index Name]
(S)-2-mercaptobutanoic acid
(S)-2-mercaptobutanoicacid
(S)-2-mercapto-butyric acid
(S)-2-Mercaptobutyric acid
1242881-37-3 [RN]
26473-48-3 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 224.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 50.8±6.0 kJ/mol
    Flash Point: 89.5±22.6 °C
    Index of Refraction: 1.491
    Molar Refractivity: 30.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -1.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 11.9±0.5 10-24cm3
    Surface Tension: 41.1±3.0 dyne/cm
    Molar Volume: 103.6±3.0 cm3

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