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Home > Imidazoles > 728035-45-8
728035-45-8 | 2-(6-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
CAS No: 728035-45-8 Catalog No: AG00G21J MDL No:MFCD06017200
Product Description
Catalog Number:
AG00G21J
Chemical Name:
2-(6-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
CAS Number:
728035-45-8
MDL Number:
MFCD06017200
IUPAC Name:
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
InChI:
InChI=1S/C11H12N2O2S/c1-6-3-4-8-9(5-6)13-11(12-8)16-7(2)10(14)15/h3-5,7H,1-2H3,(H,12,13)(H,14,15)
InChI Key:
QKMVZTPHRLGLGU-UHFFFAOYSA-N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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