5-Fluoro-2-mercaptobenzothiazole


Chemical Name: 5-Fluoro-2-mercaptobenzothiazole
CAS Number: 155559-81-2
Product Number: AG001NZZ(AGN-PC-0WABEM)
Synonyms:
MDL No:
Molecular Formula: C7H4FNS2
Molecular Weight: 185.2418

Identification/Properties


Properties
MP:
182-186°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Stench
Computed Properties
Molecular Weight:
185.234g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
184.977g/mol
Monoisotopic Mass:
184.977g/mol
Topological Polar Surface Area:
69.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Fluorobenzo[d]thiazole-2-thiol, also known as $name$, is a versatile compound that finds wide application in chemical synthesis due to its unique properties. This compound serves as a valuable building block in the preparation of various organic molecules and pharmaceuticals. One key application of 5-Fluorobenzo[d]thiazole-2-thiol is in the synthesis of heterocyclic compounds. By reacting with different reagents and catalysts, this compound can participate in a variety of reactions to form complex structures with diverse functionalities. In particular, its thiol group allows for reactions with electrophiles, enabling the introduction of sulfur-containing moieties into the final products.Additionally, 5-Fluorobenzo[d]thiazole-2-thiol can serve as a precursor for the synthesis of sulfur-containing drugs and agrochemicals. Its fluorine substituent provides additional functionality and can be further modified to tailor the compound for specific applications. Overall, the versatility of 5-Fluorobenzo[d]thiazole-2-thiol makes it a valuable tool in the hands of synthetic chemists for the creation of novel compounds with potential pharmaceutical and agricultural uses.