TL;DR: Ethynesulfenic acid (CAS 121564-25-8) is a chemical compound with molecular formula C2H2OS and molecular weight 73.982635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hydroxysulfanylethyne
Also Known As: Ethynesulfenic acid, hydroxysulfanylethyne, Ethynylhydroxysulfur, Ethynesulfenic acid(9CI), ETHYNE-SO-THIOPEROXOL
| Molecular Formula | C2H2OS |
| Molecular Weight | 73.982635 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.982635 Da |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
| SMILES | C#CSO |
| InChIKey | WVPHPPBOCBKHCG-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynesulfenic acid. With a topological polar surface area (TPSA) of 45.5 Ų, Ethynesulfenic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynesulfenic acid has 1 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 Ethynesulfenic acid is 121564-25-8.
The molecular formula of Ethynesulfenic acid is C2H2OS.
The molecular weight of Ethynesulfenic acid is 73.982635 g/mol.
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