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52507-57-0 | 2(1H)-Quinolinethione, 7-methoxy-4-methyl-
CAS No: 52507-57-0 Catalog No: AG00I9EC MDL No:MFCD00705021
Product Description
Catalog Number:
AG00I9EC
Chemical Name:
2(1H)-Quinolinethione, 7-methoxy-4-methyl-
CAS Number:
52507-57-0
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD00705021
IUPAC Name:
7-methoxy-4-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C11H11NOS/c1-7-5-11(14)12-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,14)
InChI Key:
QJNQZUVUCGOPFS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(cc2C)S
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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 |
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