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10251-80-6 | Naphtho[2,3-b]-1,4-dithiin-5,10-dione, 2,3-dihydro-
CAS No: 10251-80-6 Catalog No: AG0007N2 MDL No:
Product Description
Catalog Number:
AG0007N2
Chemical Name:
Naphtho[2,3-b]-1,4-dithiin-5,10-dione, 2,3-dihydro-
CAS Number:
10251-80-6
Molecular Formula:
C12H8O2S2
Molecular Weight:
248.3207
IUPAC Name:
2,3-dihydrobenzo[g][1,4]benzodithiine-5,10-dione
InChI:
InChI=1S/C12H8O2S2/c13-9-7-3-1-2-4-8(7)10(14)12-11(9)15-5-6-16-12/h1-4H,5-6H2
InChI Key:
IVQJELKILULDFK-UHFFFAOYSA-N
SMILES:
O=C1C2=C(SCCS2)C(=O)c2c1cccc2
UNII:
MT5FY78YHR
NSC Number:
55480
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.314g/mol
Monoisotopic Mass:
247.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of novel 1,4-naphthoquinone derivatives as antibacterial and antiviral agents. | Bioorganic & medicinal chemistry letters 20050715 |
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