2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-


Chemical Name: 2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-
CAS Number: 10216-12-3
Product Number: AG0006S6(AGN-PC-0NJYQ3)
Synonyms:
MDL No:
Molecular Formula: C5H3ClO4S2
Molecular Weight: 226.6579

Identification/Properties


Computed Properties
Molecular Weight:
226.645g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
225.916g/mol
Monoisotopic Mass:
225.916g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
280
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



5-(Chlorosulfonyl)thiophene-2-carboxylic acid is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the development of various pharmaceuticals, agrochemicals, and materials.One of the main applications of 5-(Chlorosulfonyl)thiophene-2-carboxylic acid is its role as a sulfonylating agent in organic synthesis. The chlorosulfonyl group attached to the thiophene ring makes it an ideal electrophile for introducing sulfonyl functionalities into organic molecules. This enables the formation of new carbon-sulfur bonds, which are important in the construction of complex organic compounds.Additionally, 5-(Chlorosulfonyl)thiophene-2-carboxylic acid is utilized in the synthesis of biologically active compounds, such as pharmaceutical intermediates and pesticide ingredients. Its ability to react with nucleophiles and undergo various chemical transformations makes it a valuable tool in the design and development of new drugs and agricultural chemicals.Overall, the unique structural features and reactivity of 5-(Chlorosulfonyl)thiophene-2-carboxylic acid make it a crucial component in the toolkit of synthetic chemists for the efficient construction of diverse molecular architectures.