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2,4-Dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione

  • CAS No. 28668-95-3

  • Cat. No. CS-0095258
  • Molecule weight202.24
  • Purity≥97%
  • MDL No.MFCD00182801

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

2,4-Dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione|CS-0095258

Structure of 28668-95-3

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General Information

  • CAS No. 28668-95-3
  • Cat. No. CS-0095258
  • Purity ≥97%
  • MDL No. MFCD00182801
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₄S
  • Molecular Weight 202.24
  • Synonym(s) 5H-[1,2,4]triazino[5,6-b]indole-3-thiol
  • SMILES S=C(N1)NN=C2C1=NC3=CC=CC=C23

Synthesis

  • Route1

    References

    • ISIS INNOVATION LIMITED; CHRISTOU, Ivy; CROSS, Rebecca Lillian; GIANELLA-BORRADORI, Matteo; GREAVES, David Robert; RUSSELL, Angela Jane; WYNNE, Graham Michael Patent: WO2013/41859 A1, 2013 ; Location in patent: Paragraph 00157; 00158; 00159; 00160 ;
  • Route2
    • null|null
      1165809-20-0
    • ~89%
    • 2,4-Dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione|CS-0095258
      28668-95-3

    References

    • El Ashry, El Sayed H.; Ramadan, El Sayed; Abdel Hamid, Hamida M.; Hagar, Mohamed Synlett, 2004 , # 4 p. 723 - 725
  • Route3

    References

    • Gomha, Sobhi M.; Abdel-Aziz, Hatem A. Journal of the Serbian Chemical Society, 2013 , vol. 78, # 8 p. 1119 - 1125

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.36
  • LogP   2.12029
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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