TL;DR: [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea (CAS 108922-13-0) is a chemical compound with molecular formula C13H11N5OS and molecular weight 285.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2-oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea
Also Known As: [(2-oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea, Hydrazinecarbothioamide,2-(2-oxo-1,2-di-2-pyridinylethylidene)-, {[2-oxo-1,2-bis(pyridin-2-yl)ethylidene]amino}thiourea, [(E)-[2-oxo-1,2-bis(pyridin-2-yl)ethylidene]amino]thiourea, 2-(2-Oxo-1,2-di(pyridin-2-yl)ethylidene)hydrazine-1-carbothioamide
| Molecular Formula | C13H11N5OS |
| Molecular Weight | 285.06842 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.06842 Da |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
| SMILES | C1=CC=NC(=C1)C(=NNC(=S)N)C(=O)C2=CC=CC=N2 |
| InChIKey | ROYMGMZWTFFYMS-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea. Following Lipinski's Rule of Five, [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea is 108922-13-0.
The molecular formula of [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea is C13H11N5OS.
The molecular weight of [(2-Oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea is 285.06842 g/mol.
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