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CS-W001157 4
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3-(((Benzylthio)carbonothioyl)thio)propanoic acid

  • CAS No. 497931-76-7

  • Cat. No. CS-0110788
  • Molecule weight272.41
  • Purity≥97%
  • MDL No.None

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

3-(((Benzylthio)carbonothioyl)thio)propanoic acid|CS-0110788

Structure of 497931-76-7

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General Information

  • CAS No. 497931-76-7
  • Cat. No. CS-0110788
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂S₃
  • Molecular Weight 272.41
  • Synonym(s) Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-
  • SMILES O=C(CCSC(SCC1=CC=CC=C1)=S)O

Description

This thioester-functionalized propanoic acid features a benzylthio-carbonothioyl moiety that enables selective conjugation in chemical biology workflows. The sulfur-rich scaffold enhances reactivity under mild conditions while maintaining stability during storage and handling.

Application

3-(((Benzylthio)carbonothioyl)thio)propanoic acid serves as a versatile thioester equivalent in synthetic transformations, enabling efficient formation of thiolated intermediates under mild conditions. Its benzylthio-substituted carbonothioyl group confers enhanced bench stability and facilitates selective derivatization in multistep sequences. The molecule functions as a key building block for sulfur-containing heterocycles and thioether-linked scaffolds, with predictable reactivity in nucleophilic substitution and coupling protocols.

Synthesis

  • Route1
    • null|null
      75-15-0
    • null|null
      100-39-0
    • null|null
      107-96-0
    • ~90%
    • In-stock
      3-(((Benzylthio)carbonothioyl)thio)propanoic acid|CS-0110788
      497931-76-7

    References

    • Benaglia, Massimo; Alberti, Angelo; Spisni, Enzo; Papi, Alessio; Treossi, Emanuele; Palermo, Vincenzo Journal of Materials Chemistry, 2011 , vol. 21, # 8 p. 2555 - 2562
  • Route2
    • null|null
      90980-77-1
    • null|null
      100-39-0
    • ~%
    • In-stock
      3-(((Benzylthio)carbonothioyl)thio)propanoic acid|CS-0110788
      497931-76-7

    References

    • Skey, Jared; O'Reilly, Rachel K. Chemical Communications, 2008 , # 35 p. 4183 - 4185

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4126
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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