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CS-W001157 4
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5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol

  • CAS No. 91780-33-5

  • Cat. No. CS-0229813
  • Purity≥97%
  • MDL No.None

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

5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol|CS-0229813

Structure of 91780-33-5

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General Information

  • CAS No. 91780-33-5
  • Cat. No. CS-0229813
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃S₂
  • Molecular Weight 173.26
  • Synonym(s) 5-(Allylamino)-1,3,4-thiadiazole-2-thiol
  • SMILES S=C1SC(=NN1)NCC=C

Synthesis

  • Route1
    • Dalzin|CS-1656862
      539-97-9
    • ~%
    • 5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol|CS-0229813
      91780-33-5

    References

    • Freund; Heilbrun Chemische Berichte, 1896 , vol. 29, p. 859
  • Route2
    • null|null
      5638-74-4
    • ~%
    • 5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol|CS-0229813
      91780-33-5

    References

    • Busch; Lotz Journal fuer Praktische Chemie (Leipzig), 1914 , vol. <2> 90, p. 260
  • Route3
    • null|null
      27749-13-9
    • ~%
    • 5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazole-2-thiol|CS-0229813
      91780-33-5

    References

    • Busch; Lotz Journal fuer Praktische Chemie (Leipzig), 1914 , vol. <2> 90, p. 260

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   40.71
  • LogP   1.79859
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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