2,5,6-Trimethylbenzothiazole
TL;DR: 2,5,6-Trimethylbenzothiazole (CAS 5683-41-0) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6-trimethyl-1,3-benzothiazole
Also Known As: 2,5,6-Trimethylbenzothiazole, 2,5,6-Trimethylbenzo[d]thiazole, 2,5,6-trimethyl-1,3-benzothiazole, 2-(Dimethylamino)pyridine, N,N-Dimethylpyridin-2-amine
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| Solubility | 0.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5683-41-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC(=N2)C |
| InChIKey | ZZLZXZFVVOXVRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5,6-Trimethylbenzothiazole (CAS 5683-41-0), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 2,5,6-trimethyl-1,3-benzothiazole.
Chemical Property Profile of 2,5,6-Trimethylbenzothiazole
Property Insights of 2,5,6-Trimethylbenzothiazole
The XLogP value of 3.5 indicates that 2,5,6-Trimethylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2,5,6-Trimethylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,6-Trimethylbenzothiazole 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 2,5,6-Trimethylbenzothiazole?
The CAS number of 2,5,6-Trimethylbenzothiazole is 5683-41-0.
What is the molecular formula of 2,5,6-Trimethylbenzothiazole?
The molecular formula of 2,5,6-Trimethylbenzothiazole is C10H11NS.
What is the molecular weight of 2,5,6-Trimethylbenzothiazole?
The molecular weight of 2,5,6-Trimethylbenzothiazole is 177.06 g/mol.
Where can I buy 2,5,6-Trimethylbenzothiazole?
You can request a quote for 2,5,6-Trimethylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6-Trimethylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6-Trimethylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.