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Home > Indoles and Oxindole > 702649-94-3
702649-94-3 | 8-Ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS No: 702649-94-3 Catalog No: AG01F7LI MDL No:
Product Description
Catalog Number:
AG01F7LI
Chemical Name:
8-Ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Number:
702649-94-3
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
IUPAC Name:
8-ethyl-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C12H12N4S/c1-3-7-4-5-9-8(6-7)10-11(16(9)2)13-12(17)15-14-10/h4-6H,3H2,1-2H3,(H,13,15,17)
InChI Key:
GBTHLTJFMWHZCW-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c1nnc(nc1n2C)S
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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