TL;DR: Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex (CAS 100756-24-9) is a chemical compound with molecular formula C10H18MnN4O3PS8Zn+ and molecular weight 647.75543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
zinc;ethoxy-hydroxy-oxophosphanium;manganese(2+);bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
Also Known As: Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex, Manganese, ((2-((dithiocarboxy)amino)ethyl)carbamodithioato(2-)-kappaS,kappaS')-, mixt. with ((2-((dithiocarboxy)amino)ethyl)carbamodithioato(2-)-kappaS,kappaS')zinc and ethyl hydrogen phosphonate, zinc; ethoxy-hydroxy-oxophosphanium; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate, zinc;ethoxy-hydroxy-oxophosphanium;manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
| Molecular Formula | C10H18MnN4O3PS8Zn+ |
| Molecular Weight | 647.75543 g/mol |
| XLogP | 0.326 |
| Topological Polar Surface Area (TPSA) | 227.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 647.75543 Da |
| Heavy Atoms | 28 |
| Complexity | 161.0 |
| SMILES | CCO[P+](=O)O.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2] |
| InChIKey | NXBTZZOYPBDJAO-UHFFFAOYSA-K |
The XLogP value of 0.326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex. The TPSA of 227.0 Ų indicates high polarity, suggesting Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex is 100756-24-9.
The molecular formula of Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex is C10H18MnN4O3PS8Zn+.
The molecular weight of Carbamodithioic acid, 1,2-ethanediylbis-, manganese-zinc complex is 647.75543 g/mol.
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