TL;DR: 3-amino-10H-acridine-9-thione (CAS 129821-08-5) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-10H-acridine-9-thione
Also Known As: 3-ATA compound, 3-aminothioacridone, 3-amino-10H-acridine-9-thione, 3-ATA, 3-aminoacridine-9(10H)-thione
| Molecular Formula | C13H10N2S |
| Molecular Weight | 226.05647 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.05647 Da |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| SMILES | C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N |
| InChIKey | LHMSGVQQFOFVAP-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-10H-acridine-9-thione. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-10H-acridine-9-thione. Following Lipinski's Rule of Five, 3-amino-10H-acridine-9-thione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-amino-10H-acridine-9-thione is 129821-08-5.
The molecular formula of 3-amino-10H-acridine-9-thione is C13H10N2S.
The molecular weight of 3-amino-10H-acridine-9-thione is 226.05647 g/mol.
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