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CS-W001157 4
Total: USD 88.00

4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid

  • CAS No. 201611-92-9

  • Cat. No. CS-W008499
  • Purity≥95%
  • MDL No.MFCD10698690

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

4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid|CS-W008499

Structure of 201611-92-9

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General Information

  • CAS No. 201611-92-9
  • Cat. No. CS-W008499
  • Purity ≥95%
  • MDL No. MFCD10698690
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₂S₂
  • Molecular Weight 279.38
  • Synonym(s) pentanoic acid, 4-cyano-4-[(phenylthioxomethyl)thio]-
  • SMILES CC(SC(C1=CC=CC=C1)=S)(C#N)CCC(O)=O

Synthesis

  • Route1
    • Benzothioic dithioperoxyanhydride|CS-0111060
      5873-93-8
    • null|null
      2638-94-0
    • ~75%
    • In-stock
      4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid|CS-W008499
      201611-92-9

    References

    • Chemical Communications, , vol. 47, # 38 p. 10656 - 10658
  • Route2
    • null|null
      2638-94-0
    • ~59%
    • In-stock
      4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid|CS-W008499
      201611-92-9

    References

    • US2004/138492 A1, ; Page 4 ;
  • Route3
    • Benzodithioic acid|CS-0577565
      121-68-6
    • null|null
      2638-94-0
    • ~43%
    • In-stock
      4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid|CS-W008499
      201611-92-9

    References

    • Macromolecules, , vol. 38, # 16 p. 6841 - 6848

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   61.09
  • LogP   3.24238
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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