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CS-W001157 4
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2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

  • CAS No. 17583-14-1

  • Cat. No. CS-0259237
  • Purity≥95%
  • MDL No.None

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

2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one|CS-0259237

Structure of 17583-14-1

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General Information

  • CAS No. 17583-14-1
  • Cat. No. CS-0259237
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NOS
  • Molecular Weight 167.23
  • Synonym(s) 2-Methyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
  • SMILES O=C1C2=C(CCC1)N=C(C)S2

Synthesis

  • Route1

    References

    • Bayer CropScience AG Patent: US2009/30024 A1, 2009 ; Location in patent: Page/Page column 36-37 ;
  • Route2

    References

    • SUNOVION PHARMACEUTICALS, INC.; PSYCHOGENICS INC.; SHAO, Liming; CAMPBELL, John, Emerson; HEWITT, Michael, Charles; CAMPBELL, Una; HANANIA, Taleen, G. Patent: WO2011/69063 A2, 2011 ;
  • Route3

    References

    • Muehlstaedt,M.; Bordes,E. Journal fuer Praktische Chemie (Leipzig), 1963 , vol. 20, p. 285 - 290

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

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.97052
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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