3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide
TL;DR: 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide (CAS 54581-48-5) is a chemical compound with molecular formula C14H14INS and molecular weight 354.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium iodide
Also Known As: EINECS 259-243-8, 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide, 3-ethyl-2-methylnaphtho[2,1-d]thiazolium iodide, 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium iodide, 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium,iodide
| Molecular Formula | C14H14INS |
|---|---|
| Molecular Weight | 354.99 g/mol |
| LogP | 0.67432 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.98917 |
| Heavy Atoms | 17 |
| Complexity | 672.3446 |
Chemical Identifiers
| CAS Number | 54581-48-5 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.[I-] |
Product Overview
3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide (CAS 54581-48-5), with molecular formula C14H14INS and molecular weight 354.99 g/mol. IUPAC: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium iodide.
Chemical Property Profile of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide
Property Insights of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide
The XLogP value of 0.67432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide. With a topological polar surface area (TPSA) of 3.88 Ų, 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide has 0 hydrogen bond donor(s) and 1 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 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide?
The CAS number of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide is 54581-48-5.
What is the molecular formula of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide?
The molecular formula of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide is C14H14INS.
What is the molecular weight of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide?
The molecular weight of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide is 354.99 g/mol.
Where can I buy 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide?
You can request a quote for 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.