2,2'-Dithiodipyridine CAS2127-03-9

Details:

Density 1.3± 0.1g /cm3
Boiling point 356.1±17.0 °C at 760 mmHg
Melting point 56-58 °C(lit.)
Molecular formula C10H8N2S2
Molecular weight 220.31
Flash point 169.2±20.9 °C
Accurate mass 220.012894
PSA 76.38000
LogP is 2.53
Appearance properties white to light yellow crystalline powder
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.694
Storage condition
Store away from oxidants, keep containers sealed, place in tight containers, and store in a cool, dry place

stability
Avoid contact with oxides of dangerous decomposition products such as carbon monoxide and carbon dioxide, nitrogen oxide, sulfur oxide, and hydrogen sulfide

Water Solubility 5 g/L (20 ºC)
Molecular structure
1. Molar refractive index: 63.08

2. Molar volume (m3/mol) : 164.4

3. Isotropic volume (90.2K) : 473.3

4. Surface tension (dyne/cm) : 68.7

5. Polarization (10-24cm 3) : 25.00

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 2.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 3

5. Number of tautomers:

6. Topological molecular polar Surface area (TPSA) : 25.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 148

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

12. Number of uncertain atomic constitutive centers: 0

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

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 1

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