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CS-W001157 4
Total: USD 88.00

(S)-2-(acetylthio)-4-methylpentanoic acid

  • CAS No. 122999-39-7

  • Cat. No. CS-0456461
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD18711431

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

(S)-2-(acetylthio)-4-methylpentanoic acid|CS-0456461

Structure of 122999-39-7

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General Information

  • CAS No. 122999-39-7
  • Cat. No. CS-0456461
  • Purity ≥95%
  • MDL No. MFCD18711431
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃S
  • Molecular Weight None
  • Synonym(s) (S)-2-thioacetyl-4-methylpentanoic acid
  • SMILES CC(C)C[C@@H](C(=O)O)SC(=O)C

Synthesis

  • Route1
    • Pentanoic acid, 2-bromo-4-methyl-, (R)-|CS-0011404
      42990-28-3
    • null|null
      507-09-5
    • ~%
    • In-stock
      (S)-2-(acetylthio)-4-methylpentanoic acid|CS-0456461
      122999-39-7

    References

    • Theravance, Inc. Patent: US8232306 B2, 2012 ; Location in patent: Page/Page column 14 ;
  • Route2
    • Pentanoic acid, 2-bromo-4-methyl-, (R)-|CS-0011404
      42990-28-3
    • null|null
      10387-40-3
    • ~%
    • In-stock
      (S)-2-(acetylthio)-4-methylpentanoic acid|CS-0456461
      122999-39-7

    References

    • Theravance, Inc. Patent: US2008/318951 A1, 2008 ; Location in patent: Page/Page column 48-49 ; US 20080318951 A1
  • Route3
    • In-stock
      (S)-2-Bromo-4-methylpentanoic acid|CS-0134712
      28659-87-2
    • null|null
      10387-40-3
    • ~65%
    • In-stock
      (S)-2-(acetylthio)-4-methylpentanoic acid|CS-0456461
      122999-39-7

    References

    • Kortylewicz; Galardy Journal of Medicinal Chemistry, 1990 , vol. 33, # 1 p. 263 - 273

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.7654
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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