![Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide structure](/static/products/6238/62381-93-5.webp)
Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide
TL;DR: Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide (CAS 62381-93-5) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Also Known As: 2-p-Tolylmethanesulfinyl-pyridine,1-oxide, 2-p-Tolylmethanesulfinyl-pyridine, 1-oxide, 1-oxido-2-(p-tolylmethylsulfinyl)pyridin-1-ium, Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide, 2-[(4-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 62381-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CS(=O)C2=CC=CC=[N+]2[O-] |
| InChIKey | XMXPDZKCTRNRHB-UHFFFAOYSA-N |
Product Overview
Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide (CAS 62381-93-5), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfinyl]-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide
Property Insights of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide. Following Lipinski's Rule of Five, Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide has 0 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 Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide?
The CAS number of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide is 62381-93-5.
What is the molecular formula of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide?
The molecular formula of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide is C13H13NO2S.
What is the molecular weight of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide?
The molecular weight of Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide is 247.07 g/mol.
Where can I buy Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide?
You can request a quote for Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-[[(4-methylphenyl)methyl]sulfinyl]-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.