benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
TL;DR: benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt (CAS 52123-15-6) is a chemical compound with molecular formula C16H21NO4S2 and molecular weight 355.0912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Also Known As: Benzothiazolium, 2-(2-ethoxy-1-propenyl)-3-(3-sulfobutyl)-, inner salt, Benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt, 4-[2-(2-ethoxyprop-1-enyl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate, 4-[2-(2-ethoxyprop-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate, Benzothiazolium, 2-(2-ethoxy-1-propenyl)-3-(3-sulfobutyl)-, hydroxide, inner salt
Technical Specifications
| Molecular Formula | C16H21NO4S2 |
| Molecular Weight | 355.0912 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0912 Da |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
| SMILES | CCOC(=CC1=[N+](C2=CC=CC=C2S1)CCC(C)S(=O)(=O)[O-])C |
| InChIKey | UFJCXYKTYMDASD-UHFFFAOYSA-N |
Chemical Property Profile of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
Property Insights of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
The XLogP value of 3.2 indicates that benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt?
The CAS number of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt is 52123-15-6.
What is the molecular formula of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt?
The molecular formula of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt is C16H21NO4S2.
What is the molecular weight of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt?
The molecular weight of benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt is 355.0912 g/mol.
Where can I buy benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt?
You can request a quote for benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt?
Yes, CoreyChem provides custom synthesis services for benzothiazolium, 2-(2-ethoxy-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.