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CS-W001157 4
Total: USD 88.00

4-(Phenylthio)butanoic acid

  • CAS No. 17742-51-7

  • Cat. No. CS-0074135
  • Molecule weight196.27
  • Purity≥97%
  • MDL No.MFCD02082831

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

4-(Phenylthio)butanoic acid|CS-0074135

Structure of 17742-51-7

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General Information

  • CAS No. 17742-51-7
  • Cat. No. CS-0074135
  • Purity ≥97%
  • MDL No. MFCD02082831
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂S
  • Molecular Weight 196.27
  • Synonym(s) 4-PHENYLSULFANYL-BUTYRIC ACID
  • SMILES O=C(CCCSC1=CC=CC=C1)O

Synthesis

  • Route1
    • null|null
      96-48-0
    • null|null
      108-98-5
    • ~99%
    • 4-(Phenylthio)butanoic acid|CS-0074135
      17742-51-7

    References

    • UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION; HUKRIEDE, Neil; DAY, Billy, W.; MCDERMOTT, Lee, A. Patent: WO2014/71000 A1, 2014 ; Location in patent: Paragraph 00102 ;
  • Route2
    • null|null
      108-98-5
    • ~80%
    • 4-(Phenylthio)butanoic acid|CS-0074135
      17742-51-7

    References

    • Rhone-Poulenc Rorer Pharmaceuticals Inc. Patent: US6057369 A1, 2000 ; US 6057369 A
  • Route3
    • Methyl 4-(phenylsulfanyl)butanoate|CS-0236972
      29193-71-3
    • ~98%
    • 4-(Phenylthio)butanoic acid|CS-0074135
      17742-51-7

    References

    • UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION; HUKRIEDE, Neil; DAY, Billy, W.; MCDERMOTT, Lee, A. Patent: WO2014/71000 A1, 2014 ; Location in patent: Paragraph 00102 ;

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6435
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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