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CS-W001157 4
Total: USD 88.00

4-Mercapto-N,N-dimethylbenzamide

  • CAS No. 62778-80-7

  • Cat. No. CS-0139427
  • Molecule weight181.25
  • Purity≥98%
  • MDL No.None

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

4-Mercapto-N,N-dimethylbenzamide|CS-0139427

Structure of 62778-80-7

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General Information

  • CAS No. 62778-80-7
  • Cat. No. CS-0139427
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NOS
  • Molecular Weight 181.25
  • Synonym(s) N,N-Dimethyl-4-sulfanylbenzamide
  • SMILES O=C(N(C)C)C1=CC=C(S)C=C1

Synthesis

  • Route1
    • null|null
      118362-26-8
    • ~%
    • 4-Mercapto-N,N-dimethylbenzamide|CS-0139427
      62778-80-7

    References

    • BANYU PHARMACEUTICAL CO., LTD. Patent: EP1598349 A1, 2005 ; Location in patent: Page/Page column 128 ;
  • Route2

    References

    • AstraZeneca AB Patent: US6689909 B1, 2004 ; Location in patent: Page column 57 ; US 6689909 B1
  • Route3
    • null|null
      203246-60-0
    • ~44%
    • 4-Mercapto-N,N-dimethylbenzamide|CS-0139427
      62778-80-7

    References

    • Sengar, Raghvendra S.; Nemykin, Victor N.; Basu, Partha New Journal of Chemistry, 2003 , vol. 27, # 7 p. 1115 - 1123

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.6771
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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