Dithiazanine ion
TL;DR: Dithiazanine ion (CAS 7187-55-5) is a chemical compound with molecular formula C23H23N2S2+ and molecular weight 391.13028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
Also Known As: Dithiazanine ion, Dithiazanine cation, DITHIAZANINE, 3,3'-Diethylthiadicarbocyanine, 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H23N2S2+ |
| Molecular Weight | 391.13028 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.13028 Da |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC |
| InChIKey | FYXWDSGGZAMYFZ-UHFFFAOYSA-N |
Product Description
Applications: Dithiazanine ion is used in agrochemical development, including crop protection agent synthesis, as well as pharmaceutical synthesis routes and API production. 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).
Dithiazanine ion is a agrochemical intermediate identified by CAS number 7187-55-5 and the molecular formula C23H23N2S2+ and a molecular weight of 391.13 g/mol. Synonyms include Dithiazanine ion and Dithiazanine cation.
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 Dithiazanine ion
Property Insights of Dithiazanine ion
The XLogP value of 7.0 indicates that Dithiazanine ion 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 Dithiazanine ion. Following Lipinski's Rule of Five, Dithiazanine ion has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dithiazanine ion?
The CAS number of Dithiazanine ion is 7187-55-5.
What is the molecular formula of Dithiazanine ion?
The molecular formula of Dithiazanine ion is C23H23N2S2+.
What is the molecular weight of Dithiazanine ion?
The molecular weight of Dithiazanine ion is 391.13028 g/mol.
What are the applications of Dithiazanine ion?
Dithiazanine ion is used in agrochemical development, including crop protection agent synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dithiazanine ion?
You can request a quote for Dithiazanine ion directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dithiazanine ion?
Yes, CoreyChem provides custom synthesis services for Dithiazanine ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.