RefChem:118642
TL;DR: RefChem:118642 (CAS 36528-80-0) is a chemical compound with molecular formula C32H35IN2S2 and molecular weight 638.12866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[[3-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole iodide
Also Known As: Dodecanoic acid,decylester, 3,3'-DIETHYL-9,11-NEOPENTYLENETHIATETRACARBOCYANINE IODIDE, (2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol, 3-Ethyl-2-[[3-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;iodide, Benzothiazolium, 3-ethyl-2-[5-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1,3-pentadien-1-yl]-, iodide (1:1)
Technical Specifications
| Molecular Formula | C32H35IN2S2 |
| Molecular Weight | 638.12866 g/mol |
| XLogP | 5.93 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 638.12866 Da |
| Heavy Atoms | 37 |
| Complexity | 926.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC=CC4=[N+](C5=CC=CC=C5S4)CC)CC(C3)(C)C.[I-] |
| InChIKey | LUDOBHXXKVQGQD-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118642
Property Insights of RefChem:118642
The XLogP value of 5.93 indicates that RefChem:118642 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 RefChem:118642. Following Lipinski's Rule of Five, RefChem:118642 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118642?
The CAS number of RefChem:118642 is 36528-80-0.
What is the molecular formula of RefChem:118642?
The molecular formula of RefChem:118642 is C32H35IN2S2.
What is the molecular weight of RefChem:118642?
The molecular weight of RefChem:118642 is 638.12866 g/mol.
Where can I buy RefChem:118642?
You can request a quote for RefChem:118642 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118642?
Yes, CoreyChem provides custom synthesis services for RefChem:118642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.