2-Ethyl-1,3-benzothiazole
TL;DR: 2-Ethyl-1,3-benzothiazole (CAS 252280-83-4) is a chemical compound with molecular formula C9H9NS and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3-benzothiazole
Also Known As: 2-ethyl-1,3-benzothiazole, 2-Ethylbenzo[d]thiazole, 2-ethylbenzothiazole, ethylbenzothiazoline, 2-ethylbenzthiazole
| Molecular Formula | C9H9NS |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.04558 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 252280-83-4 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2S1 |
| InChIKey | CVULGJIRGZVJHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1,3-benzothiazole (CAS 252280-83-4), with molecular formula C9H9NS and molecular weight 163.05 g/mol. IUPAC: 2-ethyl-1,3-benzothiazole.
Chemical Property Profile of 2-Ethyl-1,3-benzothiazole
Property Insights of 2-Ethyl-1,3-benzothiazole
The XLogP value of 3.4 indicates that 2-Ethyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Ethyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,3-benzothiazole 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 2-Ethyl-1,3-benzothiazole?
The CAS number of 2-Ethyl-1,3-benzothiazole is 252280-83-4.
What is the molecular formula of 2-Ethyl-1,3-benzothiazole?
The molecular formula of 2-Ethyl-1,3-benzothiazole is C9H9NS.
What is the molecular weight of 2-Ethyl-1,3-benzothiazole?
The molecular weight of 2-Ethyl-1,3-benzothiazole is 163.05 g/mol.
Where can I buy 2-Ethyl-1,3-benzothiazole?
You can request a quote for 2-Ethyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.