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14812-64-7 | Ethanone, 1-(2-thianthrenyl)-
CAS No: 14812-64-7 Catalog No: AG001FH3 MDL No:
Product Description
Catalog Number:
AG001FH3
Chemical Name:
Ethanone, 1-(2-thianthrenyl)-
CAS Number:
14812-64-7
Molecular Formula:
C14H10OS2
Molecular Weight:
258.3586
IUPAC Name:
1-thianthren-2-ylethanone
InChI:
InChI=1S/C14H10OS2/c1-9(15)10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-8H,1H3
InChI Key:
XLKTXBRNWCHYAS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)Sc1c(S2)cccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.353g/mol
Monoisotopic Mass:
258.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Antiviral phenoxathiins and their analogs. Study of the structure-activity relationships for antiviral activity and the replacement ability in poliovirus type 3 dependent variants. | Journal of medicinal chemistry 19700701 |
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