1-Oxidopyridin-1-ium-3-thiol
TL;DR: 1-Oxidopyridin-1-ium-3-thiol (CAS 127108-46-7) is a chemical compound with molecular formula C5H5NOS and molecular weight 127.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-3-thiol
Also Known As: 1-oxidopyridin-1-ium-3-thiol, 1-oxidopyridine-5-thiol, 1-oxy-pyridine-3-thiol, pyridine-3-thiol 1-oxide, 3-Mercaptopyridine 1-Oxide
| Molecular Formula | C5H5NOS |
|---|---|
| Molecular Weight | 127.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.009186 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 127108-46-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])S |
| InChIKey | OWRGGSFLEDFZOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxidopyridin-1-ium-3-thiol (CAS 127108-46-7), with molecular formula C5H5NOS and molecular weight 127.01 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-thiol.
Chemical Property Profile of 1-Oxidopyridin-1-ium-3-thiol
Property Insights of 1-Oxidopyridin-1-ium-3-thiol
The XLogP value of -0.1 indicates that 1-Oxidopyridin-1-ium-3-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.5 Ų, 1-Oxidopyridin-1-ium-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxidopyridin-1-ium-3-thiol 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
Frequently Asked Questions
What is the CAS number of 1-Oxidopyridin-1-ium-3-thiol?
The CAS number of 1-Oxidopyridin-1-ium-3-thiol is 127108-46-7.
What is the molecular formula of 1-Oxidopyridin-1-ium-3-thiol?
The molecular formula of 1-Oxidopyridin-1-ium-3-thiol is C5H5NOS.
What is the molecular weight of 1-Oxidopyridin-1-ium-3-thiol?
The molecular weight of 1-Oxidopyridin-1-ium-3-thiol is 127.01 g/mol.
Where can I buy 1-Oxidopyridin-1-ium-3-thiol?
You can request a quote for 1-Oxidopyridin-1-ium-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxidopyridin-1-ium-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxidopyridin-1-ium-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.