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CAS 178688-49-8

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Thieno[3,2-c]pyridin-2(3H)-one, 4,5,6,7-tetrahydro-, 4-methylbenzenesulfonate (1:1)

Description:
Thieno[3,2-c]pyridin-2(3H)-one, 4,5,6,7-tetrahydro-, 4-methylbenzenesulfonate (1:1) is a chemical compound characterized by its unique bicyclic structure, which incorporates both a thieno and pyridine moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, which contributes to its stability and potential biological activity. The sulfonate group, derived from 4-methylbenzenesulfonic acid, enhances the solubility of the compound in polar solvents, making it suitable for various applications in medicinal chemistry and drug formulation. The presence of the methyl group on the benzene ring can influence the compound's electronic properties and steric hindrance, potentially affecting its interaction with biological targets. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in research related to drug development and synthesis. Its CAS number, 178688-49-8, serves as a unique identifier for regulatory and safety information.
Formula:C14H17NO4S2
InChI:InChI=1S/C7H9NOS.C7H8O3S/c9-7-3-5-4-8-2-1-6(5)10-7;1-6-2-4-7(5-3-6)11(8,9)10/h8H,1-4H2;2-5H,1H3,(H,8,9,10)
InChI key:InChIKey=MRUISMROPFGHOY-UHFFFAOYSA-N
SMILES:O=C1CC2=C(S1)CCNC2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • 2-Oxo-2,4,5,6,7a-hexahydrothieno[3,2-c]pyridine p-toluenesulfonate
  • 4,5,6,7-Tetrahydrothieno[3,2-C]Pyridin-2(3H)-One 4-Methylbenzenesulfonate
  • 5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one para-toluenesulfonic acid salt
  • Thieno[3,2-c]pyridin-2(3H)-one, 4,5,6,7-tetrahydro-, 4-methylbenzenesulfonate
  • Thieno[3,2-c]pyridin-2(3H)-one, 4,5,6,7-tetrahydro-, 4-methylbenzenesulfonate (1:1)
  • 2H,3H,4H,5H,6H,7H-thieno[3,2-c]pyridin-2-one
  • 5.6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one-4-methylbenzenesulfonate
  • 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one
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