Thiocyanic acid, 2,6-diamino-3,5-pyridinediyl ester


Chemical Name: Thiocyanic acid, 2,6-diamino-3,5-pyridinediyl ester
CAS Number: 2645-32-1
Product Number: AG002TAH(AGN-PC-0KLMWR)
Synonyms:
MDL No:
Molecular Formula: C7H5N5S2
Molecular Weight: 223.2781

Identification/Properties


Properties
MP:
210°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.272g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
222.999g/mol
Monoisotopic Mass:
222.999g/mol
Topological Polar Surface Area:
163A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
261
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2,6-Diamino-3,5-dithiocyanopyridine, also known as $name$, is a versatile compound widely utilized in chemical synthesis. With its unique structure and properties, this molecule plays a crucial role in various reactions and processes within the field of chemistry.One significant application of $name$ in chemical synthesis is its use as a building block in the preparation of coordination complexes. Due to its ability to coordinate with metal ions, $name$ serves as a key ligand in the formation of coordination complexes that exhibit interesting and valuable properties. These complexes find applications in catalysis, materials science, and medicinal chemistry.Moreover, $name$ can also act as a sulfur donor in organic reactions, facilitating the formation of sulfide compounds. Its dithiocyanate functional groups enable it to participate in nucleophilic substitution reactions, leading to the synthesis of sulfur-containing organic molecules with diverse functionalities.Additionally, the presence of amino groups in $name$ makes it a valuable precursor for the synthesis of heterocyclic compounds. By incorporating $name$ into various synthetic pathways, chemists can access a wide range of nitrogen-containing heterocycles with potential applications in drug discovery and materials science.Overall, the versatile nature of 2,6-Diamino-3,5-dithiocyanopyridine makes it a valuable tool in chemical synthesis, enabling the preparation of complex molecules with tailored properties and functionalities.