6-Methoxy-2-methylbenzothiazole
TL;DR: 6-Methoxy-2-methylbenzothiazole (CAS 2941-72-2) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-methyl-1,3-benzothiazole
Also Known As: 6-Methoxy-2-methylbenzothiazole, 6-Methoxy-2-methylbenzo[d]thiazole, 6-Methoxy-2-methyl-1,3-benzothiazole, Benzothiazole, 6-methoxy-2-methyl-, 2-methyl-6-methoxybenzothiazole
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 2941-72-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)OC |
| InChIKey | DYHLJSUORLPGNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxy-2-methylbenzothiazole (CAS 2941-72-2), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 6-methoxy-2-methyl-1,3-benzothiazole.
Chemical Property Profile of 6-Methoxy-2-methylbenzothiazole
Property Insights of 6-Methoxy-2-methylbenzothiazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-2-methylbenzothiazole. With a topological polar surface area (TPSA) of 50.4 Ų, 6-Methoxy-2-methylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-2-methylbenzothiazole has 0 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 6-Methoxy-2-methylbenzothiazole?
The CAS number of 6-Methoxy-2-methylbenzothiazole is 2941-72-2.
What is the molecular formula of 6-Methoxy-2-methylbenzothiazole?
The molecular formula of 6-Methoxy-2-methylbenzothiazole is C9H9NOS.
What is the molecular weight of 6-Methoxy-2-methylbenzothiazole?
The molecular weight of 6-Methoxy-2-methylbenzothiazole is 179.04 g/mol.
Where can I buy 6-Methoxy-2-methylbenzothiazole?
You can request a quote for 6-Methoxy-2-methylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-2-methylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-2-methylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.