TL;DR: C20H22CuN6O2S2 (CAS 123988-72-7) is a chemical compound with molecular formula C20H22CuN6O2S2 and molecular weight 505.05417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
copper N'-[(4-methoxyphenyl)methyl]-N-[[(2E)-2-[[N-[(4-methoxyphenyl)methyl]-C-sulfidocarbonimidoyl]hydrazinylidene]ethylidene]amino]carbamimidothioate
Also Known As: Copper, ((2,2'-(1,2-ethanediylidene)bis(N-((4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-N(sup 2),N(sup 2'),S,S')-, (SP-4-2)-, Copper, ((2,2'-(1,2-ethanediylidene)bis(N-((4-methoxyphenyl)methyl)hydrazinecarbothioamidato))(2-)-N2,N2',S,S')-, (SP-4-2)-
| Molecular Formula | C20H22CuN6O2S2 |
| Molecular Weight | 505.05417 g/mol |
| XLogP | 2.3581 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.05417 Da |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
| SMILES | COC1=CC=C(C=C1)CN=C(NN=C/C=N/NC(=NCC2=CC=C(C=C2)OC)[S-])[S-].[Cu+2] |
| InChIKey | ODJOLPIEAWZLMC-PQWNGSORSA-L |
The XLogP value of 2.3581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22CuN6O2S2. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22CuN6O2S2. Following Lipinski's Rule of Five, C20H22CuN6O2S2 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C20H22CuN6O2S2 is 123988-72-7.
The molecular formula of C20H22CuN6O2S2 is C20H22CuN6O2S2.
The molecular weight of C20H22CuN6O2S2 is 505.05417 g/mol.
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