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CS-W001157 4
Total: USD 88.00

3-Methylbenzo[b]thiophene 1,1-dioxide

  • CAS No. 6406-91-3

  • Cat. No. CS-0078581
  • Purity≥98%
  • MDL No.MFCD08695411

*For research and further manufacturing use only, not for direct human use.

3-Methylbenzo[b]thiophene 1,1-dioxide|CS-0078581

Structure of 6406-91-3

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General Information

  • CAS No. 6406-91-3
  • Cat. No. CS-0078581
  • Purity ≥98%
  • MDL No. MFCD08695411
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂S
  • Molecular Weight 180.22
  • Synonym(s) 3-Methylbenzothiophene 1,1-dioxide
  • SMILES O=S1(C2=CC=CC=C2C(C)=C1)=O

Synthesis

  • Route1

    References

    • Ricci Annali di Chimica (Rome, Italy), 1953 , vol. 43, p. 323,328 Full Text Show Details Werner Recueil des Travaux Chimiques des Pays-Bas, 1949 , vol. 68, p. 509,515, 516
  • Route2
    • 3-Hydroxy-3-methyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide|CS-0525080
      62521-48-6
    • ~96%
    • 3-Methylbenzo[b]thiophene 1,1-dioxide|CS-0078581
      6406-91-3

    References

    • Cabiddu, M.Grazia; Cabiddu, Salvatore; Cadoni, Enzo; Demontis, Stefania; Fattuoni, Claudia; Melis, Stefana Tetrahedron, 2002 , vol. 58, # 22 p. 4529 - 4533
  • Route3

    References

    • Alvarez, Ricardo G.; Hunter, Iain S.; Suckling, Colin J.; Thomas, Michael; Vitinius, Ute Tetrahedron, 2001 , vol. 57, # 40 p. 8581 - 8587

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.8347
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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