RefChem:118643
TL;DR: RefChem:118643 (CAS 36437-64-6) is a chemical compound with molecular formula C32H34N2O5S3 and molecular weight 622.16296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-methoxy-1,3-benzothiazole;4-methylbenzenesulfonate
Also Known As: Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1), Benzothiazolium, 3-ethyl-2-[5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadienyl]-6-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1), Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl)-6-methoxy-, 4-methylbenzenesulfonate (1:1), Benzothiazolium, 3-ethyl-2-[5-(3-ethyl-6-methoxy-2(3H)-benzothiazolylidene)-1,3-pentadien-1-yl]-6-methoxy-, 4-methylbenzenesulfonate (1:1)
Technical Specifications
| Molecular Formula | C32H34N2O5S3 |
| Molecular Weight | 622.16296 g/mol |
| XLogP | 7.17 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 622.16296 Da |
| Heavy Atoms | 42 |
| Complexity | 821.0 |
| SMILES | CCN1C2=C(C=C(C=C2)OC)SC1=CC=CC=CC3=[N+](C4=C(S3)C=C(C=C4)OC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | CXFAVNYDTVGWAG-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118643
Property Insights of RefChem:118643
The XLogP value of 7.17 indicates that RefChem:118643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:118643 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118643 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:118643?
The CAS number of RefChem:118643 is 36437-64-6.
What is the molecular formula of RefChem:118643?
The molecular formula of RefChem:118643 is C32H34N2O5S3.
What is the molecular weight of RefChem:118643?
The molecular weight of RefChem:118643 is 622.16296 g/mol.
Where can I buy RefChem:118643?
You can request a quote for RefChem:118643 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118643?
Yes, CoreyChem provides custom synthesis services for RefChem:118643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.