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Home Carboxys 2-Isobutyramido-4,5-dimethylthiophene-3-carboxylic acid

2-Isobutyramido-4,5-dimethylthiophene-3-carboxylic acid

CAS No.:
312940-41-3
Catalog Number:
AG007HRS
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG007HRS
Chemical Name:
2-Isobutyramido-4,5-dimethylthiophene-3-carboxylic acid
CAS Number:
312940-41-3
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
MDL Number:
MFCD00450035
IUPAC Name:
4,5-dimethyl-2-(2-methylpropanoylamino)thiophene-3-carboxylic acid
InChI:
InChI=1S/C11H15NO3S/c1-5(2)9(13)12-10-8(11(14)15)6(3)7(4)16-10/h5H,1-4H3,(H,12,13)(H,14,15)
InChI Key:
ZERSOEDAIIYKFS-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1sc(c(c1C(=O)O)C)C)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties