Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)
TL;DR: Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) (CAS 63815-81-6) is a chemical compound with molecular formula C11H14BrNO2S and molecular weight 302.99286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide
Also Known As: Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-1,3-benzothiazol-3-ium bromide, Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1), 3-(2-Hydroxy)ethyl-6-methoxy-2-methylbenzothiazolium Bromide, 2-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14BrNO2S |
| Molecular Weight | 302.99286 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.99286 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | CC1=[N+](C2=C(S1)C=C(C=C2)OC)CCO.[Br-] |
| InChIKey | YISSRLOWMOZAKJ-UHFFFAOYSA-M |
Chemical Property Profile of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)
Property Insights of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)
The XLogP value of -1.5 indicates that Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1). Following Lipinski's Rule of Five, Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) has 1 hydrogen bond donor(s) and 4 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, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)?
The CAS number of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) is 63815-81-6.
What is the molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)?
The molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) is C11H14BrNO2S.
What is the molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)?
The molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) is 302.99286 g/mol.
Where can I buy Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)?
You can request a quote for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2-methyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.