RefChem:164682
TL;DR: RefChem:164682 (CAS 57206-44-7) is a chemical compound with molecular formula C31H29IN2S2 and molecular weight 620.08167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole iodide
Also Known As: Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-buten-1-yl]-, iodide (1:1), 1-Ethyl-2-{2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium iodide, Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, iodide (1:1), Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-((1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)-, iodide, Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-butenyl]-, iodide
Technical Specifications
| Molecular Formula | C31H29IN2S2 |
| Molecular Weight | 620.08167 g/mol |
| XLogP | 5.79 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 620.08167 Da |
| Heavy Atoms | 36 |
| Complexity | 745.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CC.[I-] |
| InChIKey | IDLYHEFSXJWJOR-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:164682
Property Insights of RefChem:164682
The XLogP value of 5.79 indicates that RefChem:164682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164682. Following Lipinski's Rule of Five, RefChem:164682 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:164682?
The CAS number of RefChem:164682 is 57206-44-7.
What is the molecular formula of RefChem:164682?
The molecular formula of RefChem:164682 is C31H29IN2S2.
What is the molecular weight of RefChem:164682?
The molecular weight of RefChem:164682 is 620.08167 g/mol.
Where can I buy RefChem:164682?
You can request a quote for RefChem:164682 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:164682?
Yes, CoreyChem provides custom synthesis services for RefChem:164682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.