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854625-94-8,MFCD27930041
Catalog No.:AA00GF5D

854625-94-8 | 3-Iodo-4-methylthiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$91.00   $64.00
- +
1g
95%
in stock  
$186.00   $130.00
- +
5g
95%
in stock  
$662.00   $464.00
- +
10g
95%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GF5D
Chemical Name:
3-Iodo-4-methylthiophene-2-carboxylic acid
CAS Number:
854625-94-8
Molecular Formula:
C6H5IO2S
Molecular Weight:
268.0722
MDL Number:
MFCD27930041
SMILES:
OC(=O)c1scc(c1I)C
Properties
Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Steinkopf;Hanske[JustusLiebigsAnnalenderChemie,1937,vol.532,p.236,248]

[1]CurrentPatentAssignee:ABBVIEINC-US2009/209609,2009,A1Locationinpatent:Page/Pagecolumn20;21

[2]Locationinpatent:schemeortableBonafoux,Dominique;Abibi,Ayome;Bettencourt,Brian;Burchat,Andrew;Ericsson,Anna;Harris,ChristopherM.;Kebede,Tegest;Morytko,Michael;McPherson,Michael;Wallace,Grier;Wu,Xiaoyun[BioorganicandMedicinalChemistryLetters,2011,vol.21,#6,p.1861-1864]

Literature
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SDS
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Tags:854625-94-8 Molecular Formula|854625-94-8 MDL|854625-94-8 SMILES|854625-94-8 3-Iodo-4-methylthiophene-2-carboxylic acid
Catalog No.: AA00GF5D
854625-94-8,MFCD27930041
854625-94-8 | 3-Iodo-4-methylthiophene-2-carboxylic acid
Pack Size： 250mg
Purity： 95%
in stock
$91.00 $64.00
Pack Size： 1g
Purity： 95%
in stock
$186.00 $130.00
Pack Size： 5g
Purity： 95%
in stock
$662.00 $464.00
Pack Size： 10g
Purity： 95%
in stock
$1,154.00 $808.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GF5D
Chemical Name: 3-Iodo-4-methylthiophene-2-carboxylic acid
CAS Number: 854625-94-8
Molecular Formula: C6H5IO2S
Molecular Weight: 268.0722
MDL Number: MFCD27930041
SMILES: OC(=O)c1scc(c1I)C
Properties
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
908094-01-9    854625-94-8    845878-92-4 

[1]Steinkopf;Hanske[JustusLiebigsAnnalenderChemie,1937,vol.532,p.236,248]

845878-92-4    854625-94-8 

[1]CurrentPatentAssignee:ABBVIEINC-US2009/209609,2009,A1Locationinpatent:Page/Pagecolumn20;21

[2]Locationinpatent:schemeortableBonafoux,Dominique;Abibi,Ayome;Bettencourt,Brian;Burchat,Andrew;Ericsson,Anna;Harris,ChristopherM.;Kebede,Tegest;Morytko,Michael;McPherson,Michael;Wallace,Grier;Wu,Xiaoyun[BioorganicandMedicinalChemistryLetters,2011,vol.21,#6,p.1861-1864]

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