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CS-W001157 4
Total: USD 88.00

4,6-Diaminopyrimidine-2(1H)-thione

  • CAS No. 1004-39-3

  • Cat. No. CS-0078663
  • Purity≥98%
  • MDL No.MFCD00006078

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

4,6-Diaminopyrimidine-2(1H)-thione|CS-0078663

Structure of 1004-39-3

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General Information

  • CAS No. 1004-39-3
  • Cat. No. CS-0078663
  • Purity ≥98%
  • MDL No. MFCD00006078
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₄S
  • Molecular Weight 142.18
  • Synonym(s) 4,6-Diamino-2-pyrimidinethiol
  • SMILES S=C1NC(N)=CC(N)=N1

Description

4,6-Diaminopyrimidine-2(1H)-thione features a fused heterocyclic core bearing two amino groups and a thione functionality, enabling robust coordination in metal-ligand systems. This electron-rich scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitors and antiviral agents. The compound exhibits stability under standard bench conditions and demonstrates favorable solubility in polar solvents for synthetic applications.

Synthesis

  • Route1
    • null|null
      17356-08-0
    • null|null
      109-77-3
    • ~83%
    • In-stock
      4,6-Diaminopyrimidine-2(1H)-thione|CS-0078663
      1004-39-3

    References

    • Chhabria, Mahesh T.; Srinivas, Sreeramaiah; Rajan, Kombu S.; Ravikumar, Tadiparthy; Rathnam, Shivprakash Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 11 p. 792 - 796
  • Route2
    • null|null
      65349-39-5
    • ~94%
    • In-stock
      4,6-Diaminopyrimidine-2(1H)-thione|CS-0078663
      1004-39-3

    References

    • Podzigun, G. I.; Pashkurov, N. G.; Reznik, V. S.; Ivanov, B. E. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1980 , vol. 29, p. 1820 - 1823 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1980 , # 11 p. 2564 - 2568
  • Route3
    • null|null
      65349-40-8
    • ~99%
    • In-stock
      4,6-Diaminopyrimidine-2(1H)-thione|CS-0078663
      1004-39-3

    References

    • Podzigun, G. I.; Pashkurov, N. G.; Reznik, V. S.; Ivanov, B. E. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1980 , vol. 29, p. 1820 - 1823 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1980 , # 11 p. 2564 - 2568

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.72
  • LogP   0.30359
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   0

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