Home Imidazoles 694-68-8
694-68-8,MFCD00038425
Catalog No.:AA003JMP

694-68-8 | 3-Methyl-2-thioxoimidazolidin-4-one

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Purity
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Price(USD)
Quantity
  
100mg
95%
in stock  
$68.00   $48.00
- +
250mg
95%
in stock  
$108.00   $76.00
- +
1g
96%
in stock  
$220.00   $154.00
- +
5g
96%
in stock  
$743.00   $520.00
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25g
96%
in stock  
$2,941.00   $2,059.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JMP
Chemical Name:
3-Methyl-2-thioxoimidazolidin-4-one
CAS Number:
694-68-8
Molecular Formula:
C4H6N2OS
Molecular Weight:
130.1682
MDL Number:
MFCD00038425
SMILES:
O=C1CNC(=S)N1C
Properties
Properties
 
BP:
176.8±23.0 °C(Predicted)  
Form:
Solid  
MP:
214-215 °C(Solv: water (7732-18-5))  

Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
-0.3  

Downstream Synthesis Route

[1]Manzhelii;Beloglazkina;Majouga;Zyk[RussianChemicalBulletin,2013,vol.62,#12,p.2631-2633][IzvestiyaAkademiiNauk.SeriyaKhimicheskaya,2013,#12,p.2631-2633,3]

71255-09-9    694-68-8   
5-((2-methoxypyridin-3-yl)methylene)-3-methyl-2-thioxoimidazolidin-4-one 

[1]JournalofMedicinalChemistry,2015,vol.58,p.6899-6908

54221-96-4    694-68-8   
5-((6-methoxypyridin-2-yl)methylene)-3-methyl-2-thioxoimidazolidin-4-one 

[1]JournalofMedicinalChemistry,2015,vol.58,p.6899-6908

358751-77-6    694-68-8   
6-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one 

[1]JournalofMedicinalChemistry,2015,vol.58,p.6899-6908

694-68-8    72716-87-1   
5-((2-methoxypyridin-4-yl)methylene)-3-methyl-2-thioxoimidazolidin-4-one 

[1]JournalofMedicinalChemistry,2015,vol.58,p.6899-6908

Literature

Title: Serum from methimazole-treated patients induces activation of aryl hydrocarbon receptor, a transcription factor that binds to dioxin-response elements.

Journal: Thyroid : official journal of the American Thyroid Association 20120801

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SDS
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