Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)
TL;DR: Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1) (CAS 63815-99-6) is a chemical compound with molecular formula C12H16BrNO2S and molecular weight 317.0085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide
Also Known As: Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide, 3-(2-Hydroxyethyl)-6-methoxy-2,5-dimethylbenzothiazolium bromide, Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1), 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide, 2-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanol,bromide
Technical Specifications
| Molecular Formula | C12H16BrNO2S |
| Molecular Weight | 317.0085 g/mol |
| XLogP | -1.19 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0085 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | CC1=CC2=C(C=C1OC)SC(=[N+]2CCO)C.[Br-] |
| InChIKey | OCVYRSMBENZCER-UHFFFAOYSA-M |
Chemical Property Profile of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)
Property Insights of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)
The XLogP value of -1.19 indicates that Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, 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-2,5-dimethyl-, bromide (1:1). Following Lipinski's Rule of Five, Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, 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-2,5-dimethyl-, bromide (1:1)?
The CAS number of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1) is 63815-99-6.
What is the molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)?
The molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1) is C12H16BrNO2S.
What is the molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)?
The molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1) is 317.0085 g/mol.
Where can I buy Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1)?
You can request a quote for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, 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-2,5-dimethyl-, bromide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzothiazolium, 3-(2-hydroxyethyl)-6-methoxy-2,5-dimethyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.