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CS-W001157 4
Total: USD 88.00

(1,3-Benzothiazol-2-ylthio)acetic acid

  • CAS No. 6295-57-4

  • Cat. No. CS-0071567
  • Purity≥98%
  • MDL No.MFCD00227391

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

(1,3-Benzothiazol-2-ylthio)acetic acid|CS-0071567

Structure of 6295-57-4

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General Information

  • CAS No. 6295-57-4
  • Cat. No. CS-0071567
  • Purity ≥98%
  • MDL No. MFCD00227391
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂S₂
  • Molecular Weight 225.29
  • Synonym(s) OTAVA-BB BB0114090045
  • SMILES O=C(O)CSC1=NC(C=CC=C2)=C2S1

Synthesis

  • Route1
    • In-stock
      2-Mercaptobenzothiazole|CS-W017829
      149-30-4
    • null|null
      79-11-8
    • ~82%
    • In-stock
      (1,3-Benzothiazol-2-ylthio)acetic acid|CS-0071567
      6295-57-4

    References

    • Bakhareva; Voronkov; Sorokin; Lopyrev; Seredenin; Gaidarov Pharmaceutical Chemistry Journal, 1996 , vol. 30, # 2 p. 89 - 91
  • Route2
    • Ethyl 2-(benzo[d]thiazol-2-ylthio)acetate|CS-0315021
      24044-88-0
    • ~95%
    • In-stock
      (1,3-Benzothiazol-2-ylthio)acetic acid|CS-0071567
      6295-57-4

    References

    • Giesbrecht, Heath E.; Knight, Brian J.; Tanguileg, Nicole R.; Emerson, Christopher R.; Blakemore, Paul R. Synlett, 2010 , # 3 art. no. S12009ST, p. 374 - 378
  • Route3
    • null|null
      105-36-2
    • In-stock
      2-Mercaptobenzothiazole|CS-W017829
      149-30-4
    • ~%
    • In-stock
      (1,3-Benzothiazol-2-ylthio)acetic acid|CS-0071567
      6295-57-4

    References

    • Monatshefte fur Chemie, , vol. 131, # 9 p. 937 - 943

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H319-H372-H411
Precautionary Statements : P260-P264-P270-P273-P280-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.473
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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