Pyrithione
TL;DR: Pyrithione (CAS 1121-31-9) is a chemical compound with molecular formula C5H5NOS and molecular weight 127.009186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxypyridine-2-thione
Also Known As: pyrithione, Omadine, 2-mercaptopyridine n-oxide, 2-Pyridinethiol 1-oxide, 1-Hydroxy-2-pyridinethione
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H5NOS |
| Molecular Weight | 127.009186 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.009186 Da |
| Heavy Atoms | 8 |
| Complexity | 162.0 |
| Boiling Point | 100 |
| Solubility | Soluble in cold water (Zinc salt) |
| SMILES | C1=CC(=S)N(C=C1)O |
| InChIKey | YBBJKCMMCRQZMA-UHFFFAOYSA-N |
Chemical Property Profile of Pyrithione
Property Insights of Pyrithione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrithione. With a topological polar surface area (TPSA) of 55.6 Ų, Pyrithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrithione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrithione?
The CAS number of Pyrithione is 1121-31-9.
What is the molecular formula of Pyrithione?
The molecular formula of Pyrithione is C5H5NOS.
What is the molecular weight of Pyrithione?
The molecular weight of Pyrithione is 127.009186 g/mol.
Where can I buy Pyrithione?
You can request a quote for Pyrithione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrithione?
Yes, CoreyChem provides custom synthesis services for Pyrithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.