![2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate structure](/static/products/2553/255395-82-5.webp)
2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate
TL;DR: 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate (CAS 255395-82-5) is a chemical compound with molecular formula C14H11N3OS2 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole
Also Known As: 2-{[4-(1,2,4-thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate, 5-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole, 2-({[4-(1,2,4-thiadiazol-5-yl)phenyl]methyl}sulfanyl)pyridin-1-ium-1-olate
| Molecular Formula | C14H11N3OS2 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.03436 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 255395-82-5 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SCC2=CC=C(C=C2)C3=NC=NS3)[O-] |
| InChIKey | GKKWGFUFDXOBBF-UHFFFAOYSA-N |
Product Overview
2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate (CAS 255395-82-5), with molecular formula C14H11N3OS2 and molecular weight 301.03 g/mol. IUPAC: 5-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]phenyl]-1,2,4-thiadiazole.
Chemical Property Profile of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate
Property Insights of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate. Following Lipinski's Rule of Five, 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate has 0 hydrogen bond donor(s) and 5 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 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate?
The CAS number of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate is 255395-82-5.
What is the molecular formula of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate?
The molecular formula of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate is C14H11N3OS2.
What is the molecular weight of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate?
The molecular weight of 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate is 301.03 g/mol.
Where can I buy 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate?
You can request a quote for 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(1,2,4-Thiadiazol-5-yl)benzyl]thio}pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.