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13676-91-0 | 9,10-Anthracenedione, 1,8-bis(phenylthio)-
CAS No: 13676-91-0 Catalog No: AG0012BH MDL No:
Product Description
Catalog Number:
AG0012BH
Chemical Name:
9,10-Anthracenedione, 1,8-bis(phenylthio)-
CAS Number:
13676-91-0
Molecular Formula:
C26H16O2S2
Molecular Weight:
424.5340
IUPAC Name:
1,8-bis(phenylsulfanyl)anthracene-9,10-dione
InChI:
InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H
InChI Key:
CNRPDCKHCGUKDK-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccccc1
EC Number:
237-167-6
NSC Number:
156516
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.059g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.532g/mol
Monoisotopic Mass:
424.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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