TL;DR: Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- (CAS 16672-99-4) is a chemical compound with molecular formula C20H12O3S and molecular weight 332.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-4-phenylsulfanylanthracene-9,10-dione
Also Known As: 1-Hydroxy-4-thiophenylanthraquinone, 1-Hydroxy-4-(phenylthio)anthraquinone, Anthraquinone, 1-hydroxy-4-(mercaptophenyl)-, 2-Chloroethylphosphonic acid,Ethephon, 1-hydroxy-4-phenylsulfanylanthracene-9,10-dione
| Molecular Formula | C20H12O3S |
| Molecular Weight | 332.05072 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.05072 Da |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
| SMILES | C1=CC=C(C=C1)SC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | UHZBAABNQZKFQO-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthraquinone, 1-hydroxy-4-(mercaptophenyl)-. Following Lipinski's Rule of Five, Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- is 16672-99-4.
The molecular formula of Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- is C20H12O3S.
The molecular weight of Anthraquinone, 1-hydroxy-4-(mercaptophenyl)- is 332.05072 g/mol.
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