Dithiazanine ion
TL;DR: Dithiazanine ion (CAS 7187-55-5) is a chemical compound with molecular formula C23H23N2S2+ and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C23H23N2S2+ |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.13028 |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 7187-55-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC |
| InChIKey | FYXWDSGGZAMYFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiazanine ion (CAS 7187-55-5), with molecular formula C23H23N2S2+ and molecular weight 391.13 g/mol. IUPAC: 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole.
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
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 391.13 g/mol.
Where can I buy Dithiazanine ion?
You can request a quote for Dithiazanine ion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiazanine ion?
Yes, KEHONG BIO provides custom synthesis services for Dithiazanine ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.