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4437-65-4 | 4-Methylquinoline-2(1H);-thione
CAS No: 4437-65-4 Catalog No: AG0071Y5 MDL No:MFCD00461554
Product Description
Catalog Number:
AG0071Y5
Chemical Name:
4-Methylquinoline-2(1H);-thione
CAS Number:
4437-65-4
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD00461554
IUPAC Name:
4-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChI Key:
OJOPTXKXKPMMGC-UHFFFAOYSA-N
SMILES:
S=c1cc(C)c2c([nH]1)cccc2
NSC Number:
138782
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^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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