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Home Carbonyls 2-[Methyl(thien-2-ylcarbonyl)amino]benzoic acid

2-[Methyl(thien-2-ylcarbonyl)amino]benzoic acid

CAS No.:
351000-22-1
Catalog Number:
AG00C611
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00C611
Chemical Name:
2-[Methyl(thien-2-ylcarbonyl)amino]benzoic acid
CAS Number:
351000-22-1
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
MDL Number:
MFCD00583358
IUPAC Name:
2-[methyl(thiophene-2-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
SAPHZHILWQDBSB-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1C(=O)O)C)c1cccs1
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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