![3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide structure](/static/products/1590/159021-02-0.webp)
3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
TL;DR: 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide (CAS 159021-02-0) is a chemical compound with molecular formula C31H37IN2S2 and molecular weight 628.1443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
Also Known As: 3-Pentyl-2-[7-(3-pentyl-1,3-benzothiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium iodide
Technical Specifications
| Molecular Formula | C31H37IN2S2 |
| Molecular Weight | 628.1443 g/mol |
| XLogP | 6.1525 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 628.1443 Da |
| Heavy Atoms | 36 |
| Complexity | 684.0 |
| SMILES | CCCCCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCC.[I-] |
| InChIKey | LMEUJOYPQQOSLU-UHFFFAOYSA-M |
Chemical Property Profile of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
Property Insights of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
The XLogP value of 6.1525 indicates that 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide 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 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide. Following Lipinski's Rule of Five, 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide 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 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide?
The CAS number of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide is 159021-02-0.
What is the molecular formula of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide?
The molecular formula of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide is C31H37IN2S2.
What is the molecular weight of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide?
The molecular weight of 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide is 628.1443 g/mol.
Where can I buy 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide?
You can request a quote for 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide?
Yes, CoreyChem provides custom synthesis services for 3-pentyl-2-[7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.