ChemSpider 2D Image | 3-[(2-Hydroxyethyl)disulfanyl]propanoic acid | C5H10O3S2

3-[(2-Hydroxyethyl)disulfanyl]propanoic acid

  • Molecular FormulaC5H10O3S2
  • Average mass182.261 Da
  • Monoisotopic mass182.007141 Da
  • ChemSpider ID21896758

More details:

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

3-[(2-Hydroxyethyl)disulfanyl]propanoic acid [ACD/IUPAC Name]
3-[(2-Hydroxyethyl)disulfanyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2-hydroxyéthyl)disulfanyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(2-hydroxyethyl)dithio]- [ACD/Index Name]
1076198-23-6 [RN]
3-(2-hydroxyethyldisulfanyl)propanoic acid
3-(2-HYDROXYETHYLDITHIO)PROPIONIC ACID
3-(2-Hydroxyethyldithio)propionicAcid
7-Hydroxy-4,5-dithiaheptanoic acid
MFCD09753557

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 361.9±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±6.0 kJ/mol
    Flash Point: 172.7±23.7 °C
    Index of Refraction: 1.591
    Molar Refractivity: 44.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.95
    ACD/LogD (pH 7.4): -2.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 108 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 131.1±3.0 cm3

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