TL;DR: Zirconium sulfide (ZrS2) (CAS 12039-15-5) is a chemical compound with molecular formula S2Zr and molecular weight 153.84885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(sulfanylidene)zirconium
Also Known As: Zirconium sulfide, dithioxozirconium, Zirconium sulfide (ZrS2), Zirconium disulphide, Zirconium disulfide
| Molecular Formula | S2Zr |
| Molecular Weight | 153.84885 g/mol |
| XLogP | 1.29 |
| Topological Polar Surface Area (TPSA) | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.84885 Da |
| Heavy Atoms | 3 |
| Complexity | 18.0 |
| SMILES | S=[Zr]=S |
| InChIKey | WVMYSOZCZHQCSG-UHFFFAOYSA-N |
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zirconium sulfide (ZrS2). The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Zirconium sulfide (ZrS2). Following Lipinski's Rule of Five, Zirconium sulfide (ZrS2) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Zirconium sulfide (ZrS2) is 12039-15-5.
The molecular formula of Zirconium sulfide (ZrS2) is S2Zr.
The molecular weight of Zirconium sulfide (ZrS2) is 153.84885 g/mol.
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