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Home > Indoles and Oxindole > 36047-55-9
36047-55-9 | 5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOLE-3-THIOL
CAS No: 36047-55-9 Catalog No: AG007CML MDL No:MFCD00580008
Product Description
Catalog Number:
AG007CML
Chemical Name:
5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOLE-3-THIOL
CAS Number:
36047-55-9
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
MDL Number:
MFCD00580008
IUPAC Name:
5-ethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C11H10N4S/c1-2-15-8-6-4-3-5-7(8)9-10(15)12-11(16)14-13-9/h3-6H,2H2,1H3,(H,12,14,16)
InChI Key:
ODYFFLRTRSEWAJ-UHFFFAOYSA-N
SMILES:
CCn1c2ccccc2c2c1nc(S)nn2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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 |
| Antiviral agents. 5H-as-Triazino(5,6-b) indoles. | Journal of medicinal chemistry 19720301 |
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