3,3'-二乙基硫代碳菁碘化物
TL;DR: 3,3'-二乙基硫代碳菁碘化物 (CAS 905-97-5) is a chemical compound with molecular formula C21H21IN2S2 and molecular weight 492.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二乙基硫代碳菁碘化物
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)
| Molecular Formula | C21H21IN2S2 |
|---|---|
| Molecular Weight | 492.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.0191 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 905-97-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| InChIKey | VZBILKJHDPEENF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-二乙基硫代碳菁碘化物 (CAS 905-97-5), with molecular formula C21H21IN2S2 and molecular weight 492.02 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 3,3'-二乙基硫代碳菁碘化物
Property Insights of 3,3'-二乙基硫代碳菁碘化物
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-二乙基硫代碳菁碘化物. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-二乙基硫代碳菁碘化物. Following Lipinski's Rule of Five, 3,3'-二乙基硫代碳菁碘化物 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 3,3'-二乙基硫代碳菁碘化物?
The CAS number of 3,3'-二乙基硫代碳菁碘化物 is 905-97-5.
What is the molecular formula of 3,3'-二乙基硫代碳菁碘化物?
The molecular formula of 3,3'-二乙基硫代碳菁碘化物 is C21H21IN2S2.
What is the molecular weight of 3,3'-二乙基硫代碳菁碘化物?
The molecular weight of 3,3'-二乙基硫代碳菁碘化物 is 492.02 g/mol.
Where can I buy 3,3'-二乙基硫代碳菁碘化物?
You can request a quote for 3,3'-二乙基硫代碳菁碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二乙基硫代碳菁碘化物?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二乙基硫代碳菁碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.