ChemSpider 2D Image | (5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid | C8H8N2O3S

(5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid

  • Molecular FormulaC8H8N2O3S
  • Average mass212.226 Da
  • Monoisotopic mass212.025558 Da
  • ChemSpider ID22529656

More details:

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

(5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid [ACD/IUPAC Name]
(5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)essigsäure [German] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-3-acetic acid, 2,3-dihydro-5-oxo- [ACD/Index Name]
Acide (5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acétique [French] [ACD/IUPAC Name]
1105190-66-6 [RN]
2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
2-{5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetic acid
MFCD11518875

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 444.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±6.0 kJ/mol
    Flash Point: 222.7±26.5 °C
    Index of Refraction: 1.755
    Molar Refractivity: 51.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.06
    ACD/LogD (pH 5.5): -1.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 77.1±7.0 dyne/cm
    Molar Volume: 126.2±7.0 cm3

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