3,3'-二甲基硫代碳菁碘化物
TL;DR: 3,3'-二甲基硫代碳菁碘化物 (CAS 2783-72-4) is a chemical compound with molecular formula C17H15IN2S2 and molecular weight 437.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二甲基硫代碳菁碘化物
3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide
Also Known As: 3,3`-DIMETHYLTHIOCARBOCYANINE IODIDE, 3-Methyl-2-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium iodide, 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide
| Molecular Formula | C17H15IN2S2 |
|---|---|
| Molecular Weight | 437.97 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 437.97214 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 2783-72-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)C.[I-] |
| InChIKey | UDQIDVMRMHXSSK-UHFFFAOYSA-M |
Product Overview
3,3'-二甲基硫代碳菁碘化物 (CAS 2783-72-4), with molecular formula C17H15IN2S2 and molecular weight 437.97 g/mol. IUPAC: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 3,3'-二甲基硫代碳菁碘化物
Property Insights of 3,3'-二甲基硫代碳菁碘化物
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-二甲基硫代碳菁碘化物. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-二甲基硫代碳菁碘化物. Following Lipinski's Rule of Five, 3,3'-二甲基硫代碳菁碘化物 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'-二甲基硫代碳菁碘化物?
The CAS number of 3,3'-二甲基硫代碳菁碘化物 is 2783-72-4.
What is the molecular formula of 3,3'-二甲基硫代碳菁碘化物?
The molecular formula of 3,3'-二甲基硫代碳菁碘化物 is C17H15IN2S2.
What is the molecular weight of 3,3'-二甲基硫代碳菁碘化物?
The molecular weight of 3,3'-二甲基硫代碳菁碘化物 is 437.97 g/mol.
Where can I buy 3,3'-二甲基硫代碳菁碘化物?
You can request a quote for 3,3'-二甲基硫代碳菁碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二甲基硫代碳菁碘化物?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二甲基硫代碳菁碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.