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55749-30-9,MFCD00039707
Catalog No.:AA00D7VH

55749-30-9 | 2-(CARBOXYMETHYLTHIO)-4,6-DIMETHYLPYRIMIDINE MONOHYDRATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$64.00   $45.00
- +
5g
95%
in stock  
$191.00   $134.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D7VH
Chemical Name:
2-(CARBOXYMETHYLTHIO)-4,6-DIMETHYLPYRIMIDINE MONOHYDRATE
CAS Number:
55749-30-9
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD00039707
SMILES:
OC(=O)CSc1nc(C)cc(n1)C
NSC Number:
100732
Properties
Properties
 
BP:
378.5°C at 760 mmHg  
Form:
Solid  
MP:
128-131 °C  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Boarlandetal.[JournaloftheChemicalSociety,1952,p.4691,4694]

[1]Fedotov,K.V.;Romanov,N.N.;Tolmachev,A.I.[ChemistryofHeterocyclicCompounds,1984,vol.20,#7,p.791-794][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#7,p.969-973]

[1]Zav'yalov;Dorofeeva;Rumyantseva;Kulikova;Ezhova;Kravchenko;Zavozin[PharmaceuticalChemistryJournal,1998,vol.32,#3,p.154-156]

[1]Kalluraya,Balakrishna;Lingappa;Nooji,SatheeshRai[Phosphorus,SulfurandSiliconandtheRelatedElements,2007,vol.182,#6,p.1393-1401]

[2]Locationinpatent:experimentalpartLingappa;Girisha;Kalluraya,Balakrishna;SatheeshRai;Kumari,NaliluSuchetha[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2008,vol.47,#12,p.1858-1864]

[1]Kalluraya,Balakrishna;Lingappa;Nooji,SatheeshRai[Phosphorus,SulfurandSiliconandtheRelatedElements,2007,vol.182,#6,p.1393-1401]

[2]Locationinpatent:bodytextLingappa;Girisha;Kalluraya,Balakrishna;SatheeshRai;Kumari,NaliluSuchetha[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2008,vol.47,#12,p.1858-1864]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:55749-30-9 Molecular Formula|55749-30-9 MDL|55749-30-9 SMILES|55749-30-9 2-(CARBOXYMETHYLTHIO)-4,6-DIMETHYLPYRIMIDINE MONOHYDRATE