benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide
TL;DR: benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide (CAS 107535-23-9) is a chemical compound with molecular formula C14H15IN2OS and molecular weight 386.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide
Also Known As: 1-Methyl-2-((benzylthio)(hydroxyimino)methyl)pyridinium iodide, Pyridinium,2-[(hydroxyimino)[(phenylmethyl)thio]methyl]-1-methyl-, iodide (1:1)
| Molecular Formula | C14H15IN2OS |
|---|---|
| Molecular Weight | 386.00 g/mol |
| LogP | -0.4157 |
| Topological Polar Surface Area | 36.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.995 |
| Heavy Atoms | 19 |
| Complexity | 546.15204 |
Chemical Identifiers
| CAS Number | 107535-23-9 |
|---|---|
| SMILES | C[N+]1=CC=CC=C1C(=NO)SCC2=CC=CC=C2.[I-] |
Product Overview
benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide (CAS 107535-23-9), with molecular formula C14H15IN2OS and molecular weight 386.00 g/mol. IUPAC: benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide.
Chemical Property Profile of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide
Property Insights of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide
The XLogP value of -0.4157 indicates that benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.47 Ų, benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide has 1 hydrogen bond donor(s) and 3 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 benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide?
The CAS number of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide is 107535-23-9.
What is the molecular formula of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide?
The molecular formula of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide is C14H15IN2OS.
What is the molecular weight of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide?
The molecular weight of benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide is 386.00 g/mol.
Where can I buy benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide?
You can request a quote for benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.