TL;DR: Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) (CAS 117-97-5) is a chemical compound with molecular formula C12Cl10S2Zn and molecular weight 621.5618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
zinc bis(2,3,4,5,6-pentachlorobenzenethiolate)
Also Known As: Endor, Saginol, Reptazin Zn, Renacit IV, Renacit 4
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12Cl10S2Zn |
| Molecular Weight | 621.5618 g/mol |
| XLogP | 9.72 |
| Topological Polar Surface Area (TPSA) | 2.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 625.5559 Da |
| Heavy Atoms | 25 |
| Complexity | 150.0 |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[S-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[S-].[Zn+2] |
| InChIKey | ONSIBMFFLJKTPT-UHFFFAOYSA-L |
The XLogP value of 9.72 indicates that Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) is 117-97-5.
The molecular formula of Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) is C12Cl10S2Zn.
The molecular weight of Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1) is 621.5618 g/mol.
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