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694-68-8,MFCD00038425
Catalog No.:AA003JMP
694-68-8 | 3-Methyl-2-thioxoimidazolidin-4-one
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1g
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$172.00   $120.00
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5g
96%
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$572.00   $400.00
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • 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
IUPAC Name:
3-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C4H6N2OS/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
InChI Key:
MEJHYNPOIFOIIU-UHFFFAOYSA-N
SMILES:
O=C1CNC(=S)N1C
Properties
Computed Properties
 
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.165g/mol
Monoisotopic Mass:
130.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Synonyms
 
3-methyl-2-thiohydantion 
methylthiohydantoin 
3-Methyl-2-thioxo-4-imidazolidinone 
3-methyl-2-thiohydantoin 
AC1MI34Z 
SCHEMBL28159 
SCHEMBL12706777 
CTK7H4373 
3-Methyl-2-thiohydantoin, 95% 
ZINC2537633 
FCH830378 
KM1272 
694-68-8 
MFCD00038425 
SBB046300 
STK312732 
STK398318 
AKOS000310218 
AKOS000369722 
MCULE-6633485185 
ST074371 
FT-0752908 
EN300-228773 
MTH-GLYCINE 
C-48716 
1-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one 
3-methyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one 
CID3037576 
Methylthiohydantoin 
3-methyl-2-thioxoimidazolidin-4-one 
3-methyl thiohydantoin 
3-methyl-2-sulfanylideneimidazolidin-4-one 
2-Mercapto-3-methyl-3,5-dihydro-imidazol-4-one 
3-methyl-2-thioxo-1,3-diazolidin-4-one 
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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