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Home Carboxys Thieno[3,2-b]thiophene-2-carboxylic acid

Thieno[3,2-b]thiophene-2-carboxylic acid

CAS No.:
1723-27-9
Catalog Number:
AG007W3G
Molecular Formula:
C7H4O2S2
Molecular Weight:
184.2355
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$335
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Product Description
Catalog Number:
AG007W3G
Chemical Name:
Thieno[3,2-b]thiophene-2-carboxylic acid
CAS Number:
1723-27-9
Molecular Formula:
C7H4O2S2
Molecular Weight:
184.2355
MDL Number:
MFCD00115174
IUPAC Name:
thieno[3,2-b]thiophene-5-carboxylic acid
InChI:
InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
InChI Key:
GVZXSZWCZGKLRS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)scc2
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.227g/mol
Monoisotopic Mass:
183.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists. Bioorganic & medicinal chemistry letters 20120615
Label-free phenotypic profiling identified D-luciferin as a GPR35 agonist. PloS one 20120101
Multiple tyrosine metabolites are GPR35 agonists. Scientific reports 20120101
Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists. Journal of medicinal chemistry 20111027
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Properties