Tinidazole CAS19387-91-8

Details:

Density 1.4± 0.1g /cm3
Boiling point 528.4±30.0 °C at 760 mmHg
Melting point 117-121 °C(lit.)
Molecular formula C8H13N3O4S
Molecular weight 247.271
Flash point 273.4±24.6 °C
Accurate mass 247.062683
PSA 106.16000
LogP minus 0.27
Appearance is almost white or light yellow, crystalline powder
Vapor pressure 0.0±1.3 mmHg at 25°C
Refractive index 1.599
Storage condition Refrigerator
Stable. Incompatible with strong oxidizing agents. Stable. Incompatible with strong oxidizing agents.
Water solubility: insoluble; Soluble in: acetone; Slightly soluble: methanol; Very lightly soluble: ethanol
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :5

4. Number of rotatable bonds :4

5. Number of tautomers: None

6. Topological molecular polar surface area 106

7. Number of heavy atoms :16

8. Surface charge :0

9. Complexity :345

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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