![2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide structure](/static/products/1479/14795-75-6.webp)
2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide
TL;DR: 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide (CAS 14795-75-6) is a chemical compound with molecular formula C23H23IN2S2 and molecular weight 518.0347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3,6-dimethyl-1,3-benzothiazole iodide
Also Known As: 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide
Technical Specifications
| Molecular Formula | C23H23IN2S2 |
| Molecular Weight | 518.0347 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.0347 Da |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
| SMILES | CC1=CC2=C(C=C1)N(C(=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)C)C)S2)C.[I-] |
| InChIKey | YRAPDILEIKZVDP-UHFFFAOYSA-M |
Chemical Property Profile of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide
Property Insights of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide
The XLogP value of 3.0 indicates that 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium 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 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide. Following Lipinski's Rule of Five, 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium 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 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide?
The CAS number of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide is 14795-75-6.
What is the molecular formula of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide?
The molecular formula of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide is C23H23IN2S2.
What is the molecular weight of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide?
The molecular weight of 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide is 518.0347 g/mol.
Where can I buy 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide?
You can request a quote for 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide?
Yes, CoreyChem provides custom synthesis services for 2-[5-(3,6-Dimethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.