1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-


Chemical Name: 1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-
CAS Number: 93718-83-3
Product Number: AG0061HR(AGN-PC-0JNX24)
Synonyms:
MDL No:
Molecular Formula: C14H14O4S2
Molecular Weight: 310.3886

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
310.382g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
310.033g/mol
Monoisotopic Mass:
310.033g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
381
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



2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione is a versatile compound that finds extensive utility in chemical synthesis. This compound serves as a valuable building block in the creation of various organic molecules due to its unique reactivity and functional groups. In chemical synthesis, it is commonly employed as a key intermediate in the production of dyes, pigments, and pharmaceuticals. Its sulfide and hydroxyl groups enable it to participate in a wide range of reactions, including oxidation, reduction, and nucleophilic substitution, leading to the formation of complex molecular structures. Additionally, the presence of the naphthalenedione moiety imparts specific properties to the synthesized products, making them ideal for use in diverse industrial applications.