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CS-W001157 4
Total: USD 88.00

2-Methoxybenzothioamide

  • CAS No. 42590-97-6

  • Cat. No. CS-0343401
  • Purity≥98%
  • MDL No.MFCD04973324

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

2-Methoxybenzothioamide|CS-0343401

Structure of 42590-97-6

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General Information

  • CAS No. 42590-97-6
  • Cat. No. CS-0343401
  • Purity ≥98%
  • MDL No. MFCD04973324
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NOS
  • Molecular Weight 167.23
  • Synonym(s) 2-Methoxy-Thiobenzamide
  • SMILES S=C(C1=CC=CC=C1OC)N

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/19184 A1, 2005 ; Location in patent: Page/Page column 78 ; WO 2005/019184 A1
  • Route2

    References

    • Nagl, Michael; Panuschka, Claudia; Barta, Andrea; Schmid, Walther Synthesis, 2008 , # 24 art. no. T10508SS, p. 4012 - 4018
  • Route3
    • null|null
      333-20-0
    • null|null
      100-66-3
    • ~2%
    • In-stock
      4-Methoxybenzenecarbothioamide|CS-W017831
      2362-64-3
    • In-stock
      2-Methoxybenzothioamide|CS-0343401
      42590-97-6

    References

    • Aki, Shinji; Fujioka, Takafumi; Ishigami, Masashi; Minamikawa, Jun-ichi Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 17 p. 2317 - 2320

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   1.3294
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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