TL;DR: 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol (CAS 1173305-20-8) is a chemical compound with molecular formula C10H7FN4O2S and molecular weight 266.02737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-fluorophenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol, 5-[(E)-2-(2-fluorophenyl)diazen-1-yl]-2-sulfanylpyrimidine-4,6-diol, 11T-0622, 5-[(2-fluorophenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(2-fluorophenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C10H7FN4O2S |
| Molecular Weight | 266.02737 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.02737 Da |
| Heavy Atoms | 18 |
| Complexity | 438.0 |
| SMILES | C1=CC=C(C(=C1)N=NC2=C(NC(=S)NC2=O)O)F |
| InChIKey | KNVXCGCHFBXVBM-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol. Following Lipinski's Rule of Five, 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol is 1173305-20-8.
The molecular formula of 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol is C10H7FN4O2S.
The molecular weight of 5-[(E)-2-(2-fluorophenyl)diazenyl]-2-sulfanyl-4,6-pyrimidinediol is 266.02737 g/mol.
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