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Home > Indoles and Oxindole > 36047-56-0
36047-56-0 | 3-Mercapto-5-propyl-5H-1,2,4-triazino[5,6-b]indole
CAS No: 36047-56-0 Catalog No: AG00J9H4 MDL No:MFCD01306247
Product Description
Catalog Number:
AG00J9H4
Chemical Name:
3-Mercapto-5-propyl-5H-1,2,4-triazino[5,6-b]indole
CAS Number:
36047-56-0
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
MDL Number:
MFCD01306247
IUPAC Name:
5-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C12H12N4S/c1-2-7-16-9-6-4-3-5-8(9)10-11(16)13-12(17)15-14-10/h3-6H,2,7H2,1H3,(H,13,15,17)
InChI Key:
VKBHDEMYBUCXJW-UHFFFAOYSA-N
SMILES:
CCCn1c2nc(S)nnc2c2c1cccc2
Properties
Complexity:
401
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:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Antiviral agents. 5H-as-Triazino(5,6-b) indoles. | Journal of medicinal chemistry 19720301 |
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