![Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide structure](/static/products/2197/2197-01-5.webp)
Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide
TL;DR: Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (CAS 2197-01-5) is a chemical compound with molecular formula C19H19IN2S2 and molecular weight 466.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide
Also Known As: 3,3'-Diethylthiacyanine iodide, 3,3?-Diethylthiacyanine iodide, 3,3'-DIETHYL THIACYANINE IODIDE, 3,3 inverted exclamation marka-Diethylthiacyanine iodide, 3-Ethyl-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C19H19IN2S2 |
|---|---|
| Molecular Weight | 466.00 g/mol |
| LogP | 2.14 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.00345 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 2197-01-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| InChIKey | XWUVSDMFUQTKQC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide (CAS 2197-01-5), with molecular formula C19H19IN2S2 and molecular weight 466.00 g/mol. IUPAC: 3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide
Property Insights of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide
The XLogP value of 2.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide. Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, 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
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide?
The CAS number of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide is 2197-01-5.
What is the molecular formula of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide?
The molecular formula of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide is C19H19IN2S2.
What is the molecular weight of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide?
The molecular weight of Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide is 466.00 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide?
You can request a quote for Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.