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CS-W001157 4
Total: USD 88.00

2-Mercaptobenzothiazole

  • CAS No. 149-30-4

  • Cat. No. CS-W017829
  • Purity≥97%
  • MDL No.MFCD00005781

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

2-Mercaptobenzothiazole|CS-W017829

Structure of 149-30-4

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General Information

  • CAS No. 149-30-4
  • Cat. No. CS-W017829
  • Purity ≥97%
  • MDL No. MFCD00005781
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NS₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES S=C1SC2=CC=CC=C2N1

Description

4-Fluorobenzyl alcohol is a versatile reagent in organic synthesis and has been used in the synthesis of a variety of compounds, including drugs, agrochemicals, and other organic compounds. It has been used in the synthesis of drugs such as the anti-cancer drug 5-Fluorouracil and the anti-inflammatory drug Ibuprofen. 4-FBA has also been used in the synthesis of agrochemicals such as the herbicide 2,4-Dichlorophenoxyacetic acid. In addition, 4-FBA has been used in the synthesis of other organic compounds such as the dye Fluorescein.

Synthesis

  • Route1
    • Benzothiazole, ≥96%|CS-1269066
      95-16-9
    • ~91%
    • In-stock
      2-Mercaptobenzothiazole|CS-W017829
      149-30-4

    References

    • American Cyanamid Company Patent: US3975394 A1, 1976 ;
  • Route2
    • null|null
      120-78-5
    • ~88%
    • In-stock
      2-Mercaptobenzothiazole|CS-W017829
      149-30-4

    References

    • Purushothama Chayr; Rajaram; Iyengar Synthetic Communications, 2000 , vol. 30, # 21 p. 3905 - 3911
  • Route3
    • null|null
      75-15-0
    • null|null
      74497-02-2
    • ~%
    • In-stock
      2-Mercaptobenzothiazole|CS-W017829
      149-30-4

    References

    • US2009/306431 A1, ; Page/Page column 2; 3 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H317-H350-H410
Precautionary Statements : P261-P272-P273-P280-P302+P352-P363-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   2.95889
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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