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189830-95-3 | Ethanamine, 2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189830-95-3 Catalog No: AG002E1R MDL No:
Product Description
Catalog Number:
AG002E1R
Chemical Name:
Ethanamine, 2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189830-95-3
Molecular Formula:
C11H11N5S
Molecular Weight:
245.3035
IUPAC Name:
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamine
InChI:
InChI=1S/C11H11N5S/c12-5-6-17-11-14-10-9(15-16-11)7-3-1-2-4-8(7)13-10/h1-4H,5-6,12H2,(H,13,14,16)
InChI Key:
TVTZGPNQLDLYOF-UHFFFAOYSA-N
SMILES:
NCCSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.304g/mol
Monoisotopic Mass:
245.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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