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Home > Indoles and Oxindole > 36047-61-7
36047-61-7 | 3-Mercapto-5-phenethyl-5H-1,2,4-triazino[5,6-b]indole
CAS No: 36047-61-7 Catalog No: AG00J9HT MDL No:MFCD01820075
Product Description
Catalog Number:
AG00J9HT
Chemical Name:
3-Mercapto-5-phenethyl-5H-1,2,4-triazino[5,6-b]indole
CAS Number:
36047-61-7
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
MDL Number:
MFCD01820075
IUPAC Name:
5-(2-phenylethyl)-2H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)
InChI Key:
JZMKJONDRDUVGT-UHFFFAOYSA-N
SMILES:
Sc1nnc2c(n1)n(CCc1ccccc1)c1c2cccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.387g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Antiviral agents. 5H-as-Triazino(5,6-b) indoles. | Journal of medicinal chemistry 19720301 |
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