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163459-39-0 | Naphtho[2,3-b]thiophene-4,9-dione, 8-methoxy-
CAS No: 163459-39-0 Catalog No: AG001U4V MDL No:
Product Description
Catalog Number:
AG001U4V
Chemical Name:
Naphtho[2,3-b]thiophene-4,9-dione, 8-methoxy-
CAS Number:
163459-39-0
Molecular Formula:
C13H8O3S
Molecular Weight:
244.2658
IUPAC Name:
8-methoxybenzo[f][1]benzothiole-4,9-dione
InChI:
InChI=1S/C13H8O3S/c1-16-9-4-2-3-7-10(9)12(15)13-8(11(7)14)5-6-17-13/h2-6H,1H3
InChI Key:
GPXMMGSLTKJRPG-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1sccc1C2=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.264g/mol
Monoisotopic Mass:
244.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 8-Methoxy-naphtho[2,3-b]thiophen-4,9-quinone, a non-competitive inhibitor of trypanothione reductase. | Memorias do Instituto Oswaldo Cruz 20030601 |
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