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Home > Indoles and Oxindole > 736146-16-0
736146-16-0 | 4-(2-phenylethyl)-4H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS No: 736146-16-0 Catalog No: AG019IC8 MDL No:MFCD03989639
Product Description
Catalog Number:
AG019IC8
Chemical Name:
4-(2-phenylethyl)-4H-[1,2,4]triazino[5,6-b]indole-3-thiol
CAS Number:
736146-16-0
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
MDL Number:
MFCD03989639
IUPAC Name:
4-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thione
InChI:
InChI=1S/C17H14N4S/c22-17-20-19-15-13-8-4-5-9-14(13)18-16(15)21(17)11-10-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChI Key:
QGNZQSOGMBPKTP-UHFFFAOYSA-N
SMILES:
Sc1nnc2c(n1CCc1ccccc1)nc1c2cccc1
Properties
Complexity:
446
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:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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