3,3'-Diethylthiacarbocyanine iodide
TL;DR: 3,3'-Diethylthiacarbocyanine iodide (CAS 905-97-5) is a chemical compound with molecular formula C21H21IN2S2 and molecular weight 492.0191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
Also Known As: 3,3'-Diethylthiacarbocyanine iodide, C3-Thiacyanine Dye, thiacarbocyanine iodide, THIAZOLE PURPLE, 3,3-Diethylthiacarbocyanine (iodide)
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H21IN2S2 |
| Molecular Weight | 492.0191 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.0191 Da |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| InChIKey | VZBILKJHDPEENF-UHFFFAOYSA-M |
Product Description
Applications: 3,3'-Diethylthiacarbocyanine iodide is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 3,3'-Diethylthiacarbocyanine iodide (CAS 905-97-5) has the molecular formula C21H21IN2S2 and a molecular weight of 492.02 g/mol. Synonyms include 3,3'-Diethylthiacarbocyanine iodide and C3-Thiacyanine Dye.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,3'-Diethylthiacarbocyanine iodide
Property Insights of 3,3'-Diethylthiacarbocyanine iodide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Diethylthiacarbocyanine iodide. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Diethylthiacarbocyanine iodide. Following Lipinski's Rule of Five, 3,3'-Diethylthiacarbocyanine iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3'-Diethylthiacarbocyanine iodide?
The CAS number of 3,3'-Diethylthiacarbocyanine iodide is 905-97-5.
What is the molecular formula of 3,3'-Diethylthiacarbocyanine iodide?
The molecular formula of 3,3'-Diethylthiacarbocyanine iodide is C21H21IN2S2.
What is the molecular weight of 3,3'-Diethylthiacarbocyanine iodide?
The molecular weight of 3,3'-Diethylthiacarbocyanine iodide is 492.0191 g/mol.
What are the applications of 3,3'-Diethylthiacarbocyanine iodide?
3,3'-Diethylthiacarbocyanine iodide is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3,3'-Diethylthiacarbocyanine iodide?
You can request a quote for 3,3'-Diethylthiacarbocyanine iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-Diethylthiacarbocyanine iodide?
Yes, CoreyChem provides custom synthesis services for 3,3'-Diethylthiacarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.