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175202-14-9,MFCD00085097
Catalog No.:AA0020CQ

175202-14-9 | 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$422.00   $295.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0020CQ
Chemical Name:
3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
CAS Number:
175202-14-9
Molecular Formula:
C9H11IO4S3
Molecular Weight:
406.2807
MDL Number:
MFCD00085097
SMILES:
CSc1sc(c(c1S(=O)(=O)C(C)C)I)C(=O)O
Properties
Computed Properties
 
Complexity:
390  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:175202-14-9 Molecular Formula|175202-14-9 MDL|175202-14-9 SMILES|175202-14-9 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Catalog No.: AA0020CQ
175202-14-9,MFCD00085097
175202-14-9 | 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Pack Size： 1g
Purity：
in stock
$422.00 $295.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0020CQ
Chemical Name: 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
CAS Number: 175202-14-9
Molecular Formula: C9H11IO4S3
Molecular Weight: 406.2807
MDL Number: MFCD00085097
SMILES: CSc1sc(c(c1S(=O)(=O)C(C)C)I)C(=O)O
Properties
Complexity: 390  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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