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CS-W001157 4
Total: USD 88.00

2-(Benzylsulfanyl)propanoic acid

  • CAS No. 6182-85-0

  • Cat. No. CS-0249425
  • Molecule weight196.27
  • Purity95+%
  • MDL No.MFCD00052369

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

2-(Benzylsulfanyl)propanoic acid|CS-0249425

Structure of 6182-85-0

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General Information

  • CAS No. 6182-85-0
  • Cat. No. CS-0249425
  • Purity 95+%
  • MDL No. MFCD00052369
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂S
  • Molecular Weight 196.27
  • Synonym(s) 2-(Benzylthio)propanoic acid
  • SMILES CC(C(=O)O)SCC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      100-39-0
    • null|null
      79-42-5
    • ~%
    • 2-(Benzylsulfanyl)propanoic acid|CS-0249425
      6182-85-0

    References

    • Mori, Yuji; Fujiwara, Shigeru; Miyachi, Toshiko; Kitanishi, Hiroyuki; Oya, Masayuki; et al. Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 5 p. 1505 - 1517
  • Route2
    • null|null
      598-72-1
    • null|null
      100-53-8
    • ~%
    • 2-(Benzylsulfanyl)propanoic acid|CS-0249425
      6182-85-0

    References

    • Owen; Sultanbawa Journal of the Chemical Society, 1949 , p. 3112
  • Route3
    • null|null
      100-44-7
    • null|null
      79-42-5
    • ~%
    • 2-(Benzylsulfanyl)propanoic acid|CS-0249425
      6182-85-0

    References

    • Suter Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1895 , vol. 20, p. 568

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3929
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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