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CS-W001157 4
Total: USD 88.00

5-chloro-2-methylsulfanyl-1,3-benzothiazole

  • CAS No. 3507-41-3

  • Cat. No. CS-0062043
  • Purity≥97%
  • MDL No.None

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

5-chloro-2-methylsulfanyl-1,3-benzothiazole|CS-0062043

Structure of 3507-41-3

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General Information

  • CAS No. 3507-41-3
  • Cat. No. CS-0062043
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNS₂
  • Molecular Weight 215.72
  • Synonym(s) 5-Chloro-2-(methylthio)benzothiazole
  • SMILES CSC1=NC2=C(C=CC(=C2)Cl)S1

Synthesis

  • Route1

    References

    • COMPOUND HANDLING B.V.; STICHTING KATHOLIEKE UNIVERSITEIT; HOOIJ, VAN, Onno; SCHALKEN, Jacobus Antonius; VIËTOR, Hendrik Engelbertus; PIET, Dennis Patrick; MAAS, Petrus Emmanuel Marie; TIJHUIS, Johann Heinrich; DEERENBERG, Sirik; SPRENKELS, Nanda Elisabeth; TANG, Siu Ha Patent: WO2013/131931 A1, 2013 ; Location in patent: Page/Page column 29; 30 ;
  • Route2
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    • 5-chloro-2-methylsulfanyl-1,3-benzothiazole|CS-0062043
      3507-41-3

    References

    • Journal of Photochemistry and Photobiology B: Biology, , vol. 103, # 3 p. 215 - 221
  • Route3

    References

    • Chemistry and Biodiversity, , vol. 8, # 2 p. 253 - 265

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   3.6716
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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