Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)
TL;DR: Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) (CAS 63123-34-2) is a chemical compound with molecular formula C10H12BrNOS and molecular weight 272.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide
Also Known As: Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide, 3-(2-Hydroxyethyl)-2-methylbenzothiazolium bromide, 3-(beta-Hydroxyethyl)-2-methylbenzothiazolium bromide, Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1), 3-(2-Hydroxy)ethyl-2-methylbenzothiazolium Bromide
| Molecular Formula | C10H12BrNOS |
|---|---|
| Molecular Weight | 272.98 g/mol |
| LogP | -1.51 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.9823 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 63123-34-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2S1)CCO.[Br-] |
| InChIKey | KMZBNPIZUBVKDQ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) (CAS 63123-34-2), with molecular formula C10H12BrNOS and molecular weight 272.98 g/mol. IUPAC: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol bromide.
Chemical Property Profile of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)
Property Insights of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)
The XLogP value of -1.51 indicates that Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)?
The CAS number of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) is 63123-34-2.
What is the molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)?
The molecular formula of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) is C10H12BrNOS.
What is the molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)?
The molecular weight of Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) is 272.98 g/mol.
Where can I buy Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)?
You can request a quote for Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-(2-hydroxyethyl)-2-methyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.