ChemSpider 2D Image | (1,1-Dioxido-1,2-thiazolidin-3-yl)acetic acid | C5H9NO4S

(1,1-Dioxido-1,2-thiazolidin-3-yl)acetic acid

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID34065934

More details:

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

(1,1-Dioxido-1,2-thiazolidin-3-yl)acetic acid [ACD/IUPAC Name]
(1,1-Dioxido-1,2-thiazolidin-3-yl)essigsäure [German] [ACD/IUPAC Name]
2-(1,1-dioxo-1??,2-thiazolidin-3-yl)acetic acid
3-Isothiazolidineacetic acid, 1,1-dioxide [ACD/Index Name]
881652-54-6 [RN]
Acide (1,1-dioxydo-1,2-thiazolidin-3-yl)acétique [French] [ACD/IUPAC Name]
2-(1,1-Dioxo-1,2-thiazolidin-3-yl)acetic acid
MFCD20657202

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 405.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±6.0 kJ/mol
    Flash Point: 199.3±26.5 °C
    Index of Refraction: 1.515
    Molar Refractivity: 37.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.80
    ACD/LogD (pH 5.5): -2.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 123.5±3.0 cm3

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