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Home > Indoles and Oxindole > 28668-95-3
28668-95-3 | 3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,4-dihydro-
CAS No: 28668-95-3 Catalog No: AG002W0W MDL No:MFCD00182801
Product Description
Catalog Number:
AG002W0W
Chemical Name:
3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,4-dihydro-
CAS Number:
28668-95-3
Molecular Formula:
C9H6N4S
Molecular Weight:
202.2357
MDL Number:
MFCD00182801
IUPAC Name:
2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C9H6N4S/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-4H,(H2,10,11,13,14)
InChI Key:
RPEJKVRRTJDBSN-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc2c([nH]1)nc1c2cccc1
NSC Number:
75196
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.235g/mol
Monoisotopic Mass:
202.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Antiviral agents. 5H-as-Triazino(5,6-b) indoles. | Journal of medicinal chemistry 19720301 |
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