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Home Carboxys 4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid

4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid

CAS No.:
26176-19-2
Catalog Number:
AG002S0L
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG002S0L
Chemical Name:
4,5-Dimethyl-2-(1h-pyrrol-1-yl)thiophene-3-carboxylic acid
CAS Number:
26176-19-2
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD00449912
IUPAC Name:
4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
InChI:
InChI=1S/C11H11NO2S/c1-7-8(2)15-10(9(7)11(13)14)12-5-3-4-6-12/h3-6H,1-2H3,(H,13,14)
InChI Key:
DFPDCVOFPAYSKG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c(sc1n1cccc1)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties