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604754-88-3 | 2(1H)-Quinolinethione,3-ethyl-(9CI)
CAS No: 604754-88-3 Catalog No: AG00EY8P MDL No:
Product Description
Catalog Number:
AG00EY8P
Chemical Name:
2(1H)-Quinolinethione,3-ethyl-(9CI)
CAS Number:
604754-88-3
IUPAC Name:
3-ethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C11H11NS/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
PFDMSGAMJXISLF-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
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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