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CS-W001157 4
Total: USD 88.00

6-Chloro-2-(methylthio)-5-nitropyrimidin-4-amine

  • CAS No. 38136-96-8

  • Cat. No. CS-0045697
  • Molecule weight220.64
  • Purity≥97%
  • MDL No.MFCD23701707

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

6-Chloro-2-(methylthio)-5-nitropyrimidin-4-amine|CS-0045697

Structure of 38136-96-8

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General Information

  • CAS No. 38136-96-8
  • Cat. No. CS-0045697
  • Purity ≥97%
  • MDL No. MFCD23701707
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅ClN₄O₂S
  • Molecular Weight 220.64
  • Synonym(s) 6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-amine
  • SMILES NC1=NC(SC)=NC(Cl)=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • JANSSEN RandD IRELAND; BONFANTI, Jean-François; DOUBLET, Frédéric Marc Maurice; EMBRECHTS, Werner; FORTIN, Jérôme Michel Claude; MC GOWAN, David Craig; MULLER, Philippe; RABOISSON, Pierre Jean-Marie Bernard Patent: WO2013/68438 A1, 2013 ; Location in patent: Page/Page column 30 ;
  • Route2

    References

    • Gilead Sciences, Inc. Patent: US2010/143301 A1, 2010 ; Location in patent: Page/Page column 46 ;
  • Route3

    References

    • JANSSEN RandD IRELAND; BONFANTI, Jean-François; DOUBLET, Frédéric Marc Maurice; EMBRECHTS, Werner; FORTIN, Jérôme Michel Claude; MC GOWAN, David Craig; MULLER, Philippe; RABOISSON, Pierre Jean-Marie Bernard Patent: WO2013/68438 A1, 2013 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   94.94
  • LogP   1.3423
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   2

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