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CS-W001157 4
Total: USD 88.00

2-[(2,5-dimethylphenyl)sulfanyl]acetic acid

  • CAS No. 15310-87-9

  • Cat. No. CS-0307430
  • Purity≥97%
  • MDL No.None

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

2-[(2,5-dimethylphenyl)sulfanyl]acetic acid|CS-0307430

Structure of 15310-87-9

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General Information

  • CAS No. 15310-87-9
  • Cat. No. CS-0307430
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂S
  • Molecular Weight 196.27
  • Synonym(s) Acetic acid, [(2,5-dimethylphenyl)thio]-
  • SMILES CC1=CC(=C(C)C=C1)SCC(=O)O

Synthesis

  • Route1

    References

    • EMISPHERE TECHNOLOGIES, INC.; WANG, Nai, Fang; SARAF, Sushma; PUSZTAY, Stephen, V. Patent: WO2008/14430 A1, 2008 ; Location in patent: Page/Page column 57 ;
  • Route2

    References

    • Ciba Patent: DE622938 , 1933 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 990 Full Text Show Details Ciba Patent: US2017613 , 1933 ;
  • Route3

    References

    • Ciba Patent: DE622938 , 1933 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 990 Full Text Show Details Ciba Patent: US2017613 , 1933 ;

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.48014
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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