ChemSpider 2D Image | Oxo(1,2-thiazol-5-yl)acetic acid | C5H3NO3S

Oxo(1,2-thiazol-5-yl)acetic acid

  • Molecular FormulaC5H3NO3S
  • Average mass157.147 Da
  • Monoisotopic mass156.983368 Da
  • ChemSpider ID111341222

More details:

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

5-Isothiazoleacetic acid, α-oxo- [ACD/Index Name]
Acide oxo(1,2-thiazol-5-yl)acétique [French] [ACD/IUPAC Name]
Oxo(1,2-thiazol-5-yl)acetic acid [ACD/IUPAC Name]
Oxo(1,2-thiazol-5-yl)essigsäure [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 194.4±36.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 71.4±26.2 °C
Index of Refraction: 1.615
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 77.4±3.0 dyne/cm
Molar Volume: 98.3±3.0 cm3

Click to predict properties on the Chemicalize site


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