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CS-W001157 4
Total: USD 88.00

6-Aminopyrimidine-2(1H)-thione

  • CAS No. 333-49-3

  • Cat. No. CS-0078723
  • Purity≥97%
  • MDL No.MFCD00006075

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

6-Aminopyrimidine-2(1H)-thione|CS-0078723

Structure of 333-49-3

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General Information

  • CAS No. 333-49-3
  • Cat. No. CS-0078723
  • Purity ≥97%
  • MDL No. MFCD00006075
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃S
  • Molecular Weight 127.17
  • Synonym(s) 2-Thiocytosine
  • SMILES S=C1NC(N)=CC=N1

Description

2-Thiocytosine is a potential antileukemic and anticancer agent. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT).2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate.

Synthesis

  • Route1
    • Pyrimidine-2,4(1H,3H)-dithione|CS-W018252
      2001-93-6
    • ~%
    • In-stock
      6-Aminopyrimidine-2(1H)-thione|CS-0078723
      333-49-3

    References

    • Journal of the Society of Chemical Industry, London, , vol. 69, p. 353 Journal of the American Chemical Society, , vol. 71, p. 2279,2280 Journal of Biological Chemistry, , vol. 177, p. 357,358
  • Route2
    • In-stock
      3,3-Diethoxypropanenitrile|CS-W016415
      2032-34-0
    • null|null
      17356-08-0
    • ~%
    • In-stock
      6-Aminopyrimidine-2(1H)-thione|CS-0078723
      333-49-3

    References

    • Journal of the American Chemical Society, , vol. 72, p. 2587,2593
  • Route3
    • 6-Amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylic acid|CS-0315506
      875-60-5
    • ~18%
    • In-stock
      6-Aminopyrimidine-2(1H)-thione|CS-0078723
      333-49-3

    References

    • Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115

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   54.7
  • LogP   0.72139
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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