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Home > Imidazoles > 721916-21-8
721916-21-8 | 4-(1-methyl-1H-imidazole-2-carbonyl)quinoline-2-thiol
CAS No: 721916-21-8 Catalog No: AG019IOL MDL No:MFCD03956427
Product Description
Catalog Number:
AG019IOL
Chemical Name:
4-(1-methyl-1H-imidazole-2-carbonyl)quinoline-2-thiol
CAS Number:
721916-21-8
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD03956427
IUPAC Name:
(1-methylimidazol-2-yl)-(2-sulfanylidene-1H-quinolin-4-yl)methanone
InChI:
InChI=1S/C14H11N3OS/c1-17-7-6-15-14(17)13(18)10-8-12(19)16-11-5-3-2-4-9(10)11/h2-8H,1H3,(H,16,19)
InChI Key:
NQDFXLZXHLMHIP-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(c1)C(=O)c1nccn1C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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