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89487-99-0,MFCD00831720
Catalog No.:AA003MMO

89487-99-0 | 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$11.00   $8.00
- +
1g
97%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$76.00   $54.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MMO
Chemical Name:
2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile
CAS Number:
89487-99-0
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
MDL Number:
MFCD00831720
SMILES:
CSc1ncc(c(=O)[nH]1)C#N
Properties
Properties
 
BP:
381.5 °C at 760 mmHg  
Form:
Solid  
MP:
222-224℃ (isopropanol )  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
296  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.1  

Upstream Synthesis Route

[1]ChemistryofHeterocyclicCompounds,2010,vol.46,#3,p.363-366

[1]ChemistryofHeterocyclicCompounds,2010,vol.46,#3,p.363-366

[1]Patent:US2008/255172,2008,A1,.Locationinpatent:Page/Pagecolumn70

[1]Patent:US2009/270389,2009,A1,.Locationinpatent:Page/Pagecolumn43

[1]EuropeanJournalofMedicinalChemistry,2012,vol.56,p.30-38

Downstream Synthesis Route

[1]Patent:US2003/158218,2003,A1

[2]Patent:US5620981,1997,A

[3]Patent:US5733914,1998,A

[4]Patent:US2009/270389,2009,A1.Locationinpatent:Page/Pagecolumn43-44

[5]EuropeanJournalofMedicinalChemistry,2012,vol.56,p.30-38

[6]Patent:US2002/165241,2002,A1

[1]Patent:US2003/158218,2003,A1

[1]Patent:US2008/255172,2008,A1.Locationinpatent:Page/Pagecolumn70

Literature
Quotation Request
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Additional Info:
SDS
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Tags:89487-99-0 Molecular Formula|89487-99-0 MDL|89487-99-0 SMILES|89487-99-0 2-Methylsulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile