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CS-W001157 4
Total: USD 88.00

2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one

  • CAS No. 21599-35-9

  • Cat. No. CS-B1082
  • Molecule weight194.25
  • Purity≥97%
  • MDL No.MFCD13189709

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

2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one|CS-B1082

Structure of 21599-35-9

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General Information

  • CAS No. 21599-35-9
  • Cat. No. CS-B1082
  • Purity ≥97%
  • MDL No. MFCD13189709
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂OS
  • Molecular Weight 194.25
  • Synonym(s) 5(6H)-Quinazolinone, 7,8-dihydro-2-(methylthio)-
  • SMILES O=C1CCCC2=NC(SC)=NC=C21

Synthesis

  • Route1
    • In-stock
      2-((Dimethylamino)methylene)cyclohexane-1,3-dione|CS-0145586
      85302-07-4
    • Methyl carbamimidothioate|CS-0179522
      2986-19-8
    • ~86%
    • In-stock
      2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one|CS-B1082
      21599-35-9

    References

    • ARQULE, INC.; TANDON, Manish; ALI, Syed, M.; ASHWELL, Mark; WANG, Jianqiang; NAMDEV, Nivedita; HILL, Jason; WESTLUND, Neil; DALTON, Audra; BRASSARD, Chris; FILIKOV, Anton; PALMA, Rocio; VENSEL, David Patent: WO2010/78427 A1, 2010 ; Location in patent: Page/Page column 224-225 ;
  • Route2

    References

    • Bajnati, Abdelilah; Kokel, Bruno; Hubert-Habart, Michel Bulletin de la Societe Chimique de France, 1987 , # 2 p. 318 - 324

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   42.85
  • LogP   1.7175
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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