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CS-W001157 4
Total: USD 88.00

5-Phenyl-3H-1,2-dithiole-3-thione

  • CAS No. 3445-76-9

  • Cat. No. CS-0110126
  • Purity≥98%
  • MDL No.None

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

5-Phenyl-3H-1,2-dithiole-3-thione|CS-0110126

Structure of 3445-76-9

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General Information

  • CAS No. 3445-76-9
  • Cat. No. CS-0110126
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆S₃
  • Molecular Weight 210.34
  • Synonym(s) None
  • SMILES S=C(SS1)C=C1C2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      827-42-9
    • ~58%
    • 5-Phenyl-3H-1,2-dithiole-3-thione|CS-0110126
      3445-76-9

    References

    • Charbonnel-Jobic, Gaelle; Guemas, Jean-Pierre; Adelaere, Bruno; Parrain, Jean-Luc; Quintard, Jean-Paul Bulletin de la Societe Chimique de France, 1995 , vol. 132, p. 624 - 636
  • Route2

    References

    • Curphey; Libby Tetrahedron Letters, 2000 , vol. 41, # 36 p. 6977 - 6980
  • Route3

    References

    • Curphey, Thomas J. Journal of Organic Chemistry, 2002 , vol. 67, # 18 p. 6461 - 6473

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   0
  • LogP   4.20609
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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