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CS-W001157 4
Total: USD 88.00

2-((4-Methylpyrimidin-2-yl)thio)acetic acid

  • CAS No. 46118-95-0

  • Cat. No. CS-0078765
  • Purity≥98%
  • MDL No.MFCD00023244

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

2-((4-Methylpyrimidin-2-yl)thio)acetic acid|CS-0078765

Structure of 46118-95-0

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General Information

  • CAS No. 46118-95-0
  • Cat. No. CS-0078765
  • Purity ≥98%
  • MDL No. MFCD00023244
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂S
  • Molecular Weight 184.22
  • Synonym(s) 2-Carboxymethylthio-4-Methylpyrimidine
  • SMILES CC1=CC=NC(SCC(O)=O)=N1

Synthesis

  • Route1
    • null|null
      79-11-8
    • 6-Methylpyrimidine-2(1H)-thione|CS-0078756
      35071-17-1
    • ~%
    • In-stock
      2-((4-Methylpyrimidin-2-yl)thio)acetic acid|CS-0078765
      46118-95-0

    References

    • Lingappa; Girisha; Kalluraya, Balakrishna; Satheesh Rai; Kumari, Nalilu Suchetha Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008 , vol. 47, # 12 p. 1858 - 1864
  • Route2
    • null|null
      3926-62-3
    • ~%
    • In-stock
      2-((4-Methylpyrimidin-2-yl)thio)acetic acid|CS-0078765
      46118-95-0

    References

    • Hunt et al. Journal of the Chemical Society, 1959 , p. 525,528

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H303-H315-H318-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.96172
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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