TL;DR: Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) (CAS 127207-06-1) is a chemical compound with molecular formula C8H14CuN6S2 and molecular weight 321.00174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
copper N'-methyl-N-[[(1E)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate
Also Known As: Cu-Etsm, Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone), Ethylglyoxal bis(N(4)-methylthiosemicarbazone)copper (II) complex, Copper, ((2,2'-(1-ethyl-1,2-ethanediylidene)bis(N-methylhydrazinecarbothioamidato))(2-)-N2,N2',S,S')-, (SP-4-4)-, copper;N'-methyl-N-[[(1E)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate
| Molecular Formula | C8H14CuN6S2 |
| Molecular Weight | 321.00174 g/mol |
| XLogP | -0.0197 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.00174 Da |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
| SMILES | CCC(=NNC(=NC)[S-])/C=N/NC(=NC)[S-].[Cu+2] |
| InChIKey | YUAOROJGTBZHPA-GPJRIMBNSA-L |
The XLogP value of -0.0197 indicates that Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone). Following Lipinski's Rule of Five, Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) has 2 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 Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) is 127207-06-1.
The molecular formula of Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) is C8H14CuN6S2.
The molecular weight of Copper (II) ethylglyoxal bis(N(4)-methylthiosemicarbazone) is 321.00174 g/mol.
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