3-Ethyl-1,3-benzothiazol-3-ium bromide
TL;DR: 3-Ethyl-1,3-benzothiazol-3-ium bromide (CAS 32446-47-2) is a chemical compound with molecular formula C9H10BrNS and molecular weight 242.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,3-benzothiazol-3-ium bromide
Also Known As: 3-Ethylbenzothiazolium Bromide, 3-Ethylbenzo[d]thiazol-3-ium bromide, 3-ethyl-1,3-benzothiazol-3-ium bromide, 3-ethylbenzothiazole Bromide, 3-ethyl-1,3-benzothiazol-3-ium;bromide
| Molecular Formula | C9H10BrNS |
|---|---|
| Molecular Weight | 242.97 g/mol |
| LogP | -0.7873 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.97173 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 32446-47-2 |
|---|---|
| SMILES | CC[N+]1=CSC2=CC=CC=C21.[Br-] |
| InChIKey | XBWYYTURPBHPFJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-1,3-benzothiazol-3-ium bromide (CAS 32446-47-2), with molecular formula C9H10BrNS and molecular weight 242.97 g/mol. IUPAC: 3-ethyl-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of 3-Ethyl-1,3-benzothiazol-3-ium bromide
Property Insights of 3-Ethyl-1,3-benzothiazol-3-ium bromide
The XLogP value of -0.7873 indicates that 3-Ethyl-1,3-benzothiazol-3-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, 3-Ethyl-1,3-benzothiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1,3-benzothiazol-3-ium bromide has 0 hydrogen bond donor(s) and 2 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 3-Ethyl-1,3-benzothiazol-3-ium bromide?
The CAS number of 3-Ethyl-1,3-benzothiazol-3-ium bromide is 32446-47-2.
What is the molecular formula of 3-Ethyl-1,3-benzothiazol-3-ium bromide?
The molecular formula of 3-Ethyl-1,3-benzothiazol-3-ium bromide is C9H10BrNS.
What is the molecular weight of 3-Ethyl-1,3-benzothiazol-3-ium bromide?
The molecular weight of 3-Ethyl-1,3-benzothiazol-3-ium bromide is 242.97 g/mol.
Where can I buy 3-Ethyl-1,3-benzothiazol-3-ium bromide?
You can request a quote for 3-Ethyl-1,3-benzothiazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1,3-benzothiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,3-benzothiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.