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CS-W001157 4
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2-((6-Methyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid

  • CAS No. 27231-37-4

  • Cat. No. CS-0328161
  • Molecule weight222.26
  • Purity95+%
  • MDL No.None

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

2-((6-Methyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid|CS-0328161

Structure of 27231-37-4

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General Information

  • CAS No. 27231-37-4
  • Cat. No. CS-0328161
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂S
  • Molecular Weight 222.26
  • Synonym(s) (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
  • SMILES CC1=CC2=C(C=C1)N=C(N2)SCC(=O)O

Synthesis

  • Route1

    References

    • Tanaka; Ino; Murakami Chemical and Pharmaceutical Bulletin, 1981 , vol. 29, # 7 p. 1876 - 1886
  • Route2

    References

    • Rebstock et al. Journal of the American Chemical Society, 1956 , vol. 78, p. 5831
  • Route3

    References

    • Mavrova, Anelia Ts.; Anichina, Kamelya K.; Vuchev, Dimitar I.; Tsenov, Jordan A.; Kondeva, Magdalena S.; Micheva, Mitka K. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 19 p. 5550 - 5559

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   2.04802
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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