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CS-W001157 4
Total: USD 88.00

Benzothioic S-acid

  • CAS No. 98-91-9

  • Cat. No. CS-0197538
  • Purity≥85%
  • MDL No.None

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

Benzothioic S-acid|CS-0197538

Structure of 98-91-9

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General Information

  • CAS No. 98-91-9
  • Cat. No. CS-0197538
  • Purity ≥85%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆OS
  • Molecular Weight 138.19
  • Synonym(s) Thiobenzoic acid
  • SMILES C1=CC=C(C=C1)C(=O)S

Description

Benzothioic S-acid delivers a reactive thioester functionality ideal for nucleophilic substitution and coupling reactions. This bench-stable reagent integrates readily into synthetic sequences requiring sulfur transfer, offering reliable performance in the construction of complex organosulfur architectures under standard conditions.

Synthesis

  • Route1
    • null|null
      98-88-4
    • ~89%
    • In-stock
      Benzothioic S-acid|CS-0197538
      98-91-9

    References

    • Murai, Toshiaki; Asai, Fumio Journal of the American Chemical Society, 2007 , vol. 129, # 4 p. 780 - 781
  • Route2

    References

    • Nomura, Ryoki; Miyazaki, Shin-Ichiro; Nakano, Takahiro; Matsuda, Haruo Chemische Berichte, 1990 , vol. 123, # 10 p. 2081 - 2082
  • Route3

    References

    • Kong, Fangming; Zhou, Xunjun Synthetic Communications, 1989 , vol. 19, # 18 p. 3143 - 3150

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+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.7566
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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