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CS-W001157 4
Total: USD 88.00

3,5-Dihydro-2H-1,5-benzothiazepin-4-one

  • CAS No. 53454-43-6

  • Cat. No. CS-0071971
  • Purity≥97%
  • MDL No.MFCD00030759

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

3,5-Dihydro-2H-1,5-benzothiazepin-4-one|CS-0071971

Structure of 53454-43-6

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General Information

  • CAS No. 53454-43-6
  • Cat. No. CS-0071971
  • Purity ≥97%
  • MDL No. MFCD00030759
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NOS
  • Molecular Weight 179.24
  • Synonym(s) 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
  • SMILES O=C1NC(C=CC=C2)=C2SCC1

Synthesis

  • Route1
    • null|null
      137-07-5
    • null|null
      79-10-7
    • ~38%
    • 3,5-Dihydro-2H-1,5-benzothiazepin-4-one|CS-0071971
      53454-43-6

    References

    • Rutkauskas; Beresnevicius Chemistry of Heterocyclic Compounds, 2006 , vol. 42, # 2 p. 227 - 232
  • Route2
    • null|null
      844444-68-4
    • ~89%
    • 3,5-Dihydro-2H-1,5-benzothiazepin-4-one|CS-0071971
      53454-43-6

    References

    • Itabashi, Saori; Lu, Rong; Miyakoshi, Tetsuo Heterocycles, 2011 , vol. 83, # 1 p. 171 - 177
  • Route3
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • null|null
      106-43-4
    • null|null
      95-49-8
    • null|null
      79-10-7
    • ~%
    • 3,5-Dihydro-2H-1,5-benzothiazepin-4-one|CS-0071971
      53454-43-6

    References

    • Bayer Aktiengesellschaft Patent: US4948886 A1, 1990 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   2.1209
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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