Compound Q&A

How is Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate (CAS: 49625-94-7) typically synthesized?

Answer

Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate
Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate is synthesized through the reaction of 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonic acid with sodium hydroxide. The synthesis involves condensation of benzothiazole and propyl sulfonic acid, followed by neutralization with sodium hydroxide. The reaction is typically carried out in an aqueous solvent and yields high purity product with >95% selectivity and >90% yield.

About

CAS No 49625-94-7
English Name Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate
Molecular Formula C10H10NNaO3S3
Molecular Weight 311.4 g/mol
SMILES C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]
InChIKey VRKNGZAPJYUNSN-UHFFFAOYSA-M
Last Updated: 2025-09-13 09:53

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