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CS-W001157 4
Total: USD 88.00

[(4-Nitrobenzyl)thio]acetic acid

  • CAS No. 6345-13-7

  • Cat. No. CS-0071538
  • Molecule weight227.24
  • Purity≥97%
  • MDL No.MFCD00540019

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

[(4-Nitrobenzyl)thio]acetic acid|CS-0071538

Structure of 6345-13-7

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General Information

  • CAS No. 6345-13-7
  • Cat. No. CS-0071538
  • Purity ≥97%
  • MDL No. MFCD00540019
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄S
  • Molecular Weight 227.24
  • Synonym(s) None
  • SMILES [O-][N+](C1=CC=C(CSCC(O)=O)C=C1)=O

Synthesis

  • Route1
    • null|null
      68-11-1
    • null|null
      100-11-8
    • ~93%
    • [(4-Nitrobenzyl)thio]acetic acid|CS-0071538
      6345-13-7

    References

    • Sharma, Vedula M.; Seshu, K. V. Adi; Sekhar, V. Chandra; Madan, Sachin; Vishnu; Babu, P. Aravind; Krishna, C. Vamsee; Sreenu; Krishna, V. Ravi; Venkateswarlu; Rajagopal, Sriram; Ajaykumar; Kumar, T. Sravan Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 1 p. 67 - 71
  • Route2
    • null|null
      100-14-1
    • null|null
      68-11-1
    • ~%
    • [(4-Nitrobenzyl)thio]acetic acid|CS-0071538
      6345-13-7

    References

    • Schoenberg; Iskander Journal of the Chemical Society, 1942 , p. 90,92

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.9126
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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