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CS-W001157 4
Total: USD 88.00

4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid

  • CAS No. 1137725-46-2

  • Cat. No. CS-0139657
  • Purity≥97%
  • MDL No.None

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

4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid|CS-0139657

Structure of 1137725-46-2

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General Information

  • CAS No. 1137725-46-2
  • Cat. No. CS-0139657
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂S₃
  • Molecular Weight 263.40
  • Synonym(s) 4-Cyano-4-{[(ethylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid
  • SMILES CC(SC(SCC)=S)(C#N)CCC(O)=O

Description

This thioester-functionalized cyano acid features a reactive ethylthio-carbonothioyl group enabling direct conjugation to nucleophiles. The pendant cyano moiety enhances electron withdrawal, stabilizing adjacent intermediates. Designed for bioconjugation workflows, it offers robust reactivity under mild conditions with excellent shelf stability and solubility in organic solvents.

Application

4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid serves as a versatile building block for thioester and cyano-functionalized scaffolds, enabling efficient access to heterocyclic systems via cyclization or nucleophilic substitution. Its dual functional groups—cyano and thiocarbonyl—offer orthogonal reactivity for sequential transformations, while the ethylthio substituent enhances stability and facilitates purification. Ideal for medicinal chemistry campaigns requiring robust, bench-stable intermediates in multistep syntheses.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   2.90468
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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