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CS-W001157 4
Total: USD 88.00

S-(4-Nitrophenyl) ethanethioate

  • CAS No. 15119-62-7

  • Cat. No. CS-W015675
  • Molecule weight197.21
  • Purity≥95%
  • MDL No.MFCD00050413

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

S-(4-Nitrophenyl) ethanethioate|CS-W015675

Structure of 15119-62-7

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General Information

  • CAS No. 15119-62-7
  • Cat. No. CS-W015675
  • Purity ≥95%
  • MDL No. MFCD00050413
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₃S
  • Molecular Weight 197.21
  • Synonym(s) S-(4-NITROPHENYL) THIOACETATE
  • SMILES CC(SC1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1

    References

    • Chakraborti, Asit K.; Shivani Journal of Organic Chemistry, 2006 , vol. 71, # 15 p. 5785 - 5788
  • Route2

    References

    • Dan, Weixing; Deng, Hongjuan; Chen, Jiuxi; Liu, Miaochang; Ding, Jinchang; Wu, Huayue Tetrahedron, 2010 , vol. 66, # 37 p. 7384 - 7388
  • Route3
    • null|null
      636-98-6
    • null|null
      10387-40-3
    • ~72%
    • S-(4-Nitrophenyl) ethanethioate|CS-W015675
      15119-62-7

    References

    • Soria-Castro, Silvia M.; Penenory, Alicia B. Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 467 - 475

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.2334
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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