TL;DR: 9,10-Anthracenedione, 1,1'-dithiobis- (CAS 13354-33-1) is a chemical compound with molecular formula C28H14O4S2 and molecular weight 478.03336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(9,10-dioxoanthracen-1-yl)disulfanyl]anthracene-9,10-dione
Also Known As: 9,10-Anthracenedione, 1,1'-dithiobis-, 1,1'-Dithiodi-anthraquinone, Bis-anthrachinonyl-(1)-disulfid, 1,1'-disulfanediylbis(anthracene-9,10-dione), 9,10-Anthracenedione, 1,1-dithiobis-
| Molecular Formula | C28H14O4S2 |
| Molecular Weight | 478.03336 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.03336 Da |
| Heavy Atoms | 34 |
| Complexity | 800.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SSC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O |
| InChIKey | DFASTHACKVACMB-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 9,10-Anthracenedione, 1,1'-dithiobis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,1'-dithiobis-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,1'-dithiobis- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1,1'-dithiobis- is 13354-33-1.
The molecular formula of 9,10-Anthracenedione, 1,1'-dithiobis- is C28H14O4S2.
The molecular weight of 9,10-Anthracenedione, 1,1'-dithiobis- is 478.03336 g/mol.
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