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CS-W001157 4
Total: USD 88.00

2-Benzylbenzo[d]isothiazol-3(2h)-one 1,1-dioxide

  • CAS No. 3416-59-9

  • Cat. No. CS-0269953
  • Purity≥95%
  • MDL No.None

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

2-Benzylbenzo[d]isothiazol-3(2h)-one 1,1-dioxide|CS-0269953

Structure of 3416-59-9

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General Information

  • CAS No. 3416-59-9
  • Cat. No. CS-0269953
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₃S
  • Molecular Weight 273.31
  • Synonym(s) 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-, 1,1-dioxide
  • SMILES C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=C3)S2(=O)=O

Synthesis

  • Route1

    References

    • Hu, Yi; Chen, Zhen-Chu; Le, Zhang-Gao; Zheng, Qin-Guo Journal of Chemical Research, 2004 , # 4 p. 276 - 278
  • Route2

    References

    • Wang, Xiaolong; Ma, Yanying; Ju, Tingting Journal of Chemical Research, 2013 , vol. 37, # 7 p. 417 - 419
  • Route3

    References

    • Robinson, Richard I.; Fryatt, Ross; Wilson, Claire; Woodward, Simon European Journal of Organic Chemistry, 2006 , # 19 p. 4483 - 4489

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   54.45
  • LogP   2.0313
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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