6-Methoxybenzothiazole
TL;DR: 6-Methoxybenzothiazole (CAS 2942-13-4) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-benzothiazole
Also Known As: 6-Methoxybenzothiazole, 6-methoxy-1,3-benzothiazole, 6-METHOXYBENZO[D]THIAZOLE, BENZOTHIAZOLE, 6-METHOXY-, methoxy-benzothiazole
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2942-13-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=CS2 |
| InChIKey | AHOIGFLSEXUWNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxybenzothiazole (CAS 2942-13-4), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 6-methoxy-1,3-benzothiazole.
Chemical Property Profile of 6-Methoxybenzothiazole
Property Insights of 6-Methoxybenzothiazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxybenzothiazole. With a topological polar surface area (TPSA) of 50.4 Ų, 6-Methoxybenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxybenzothiazole 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-Methoxybenzothiazole?
The CAS number of 6-Methoxybenzothiazole is 2942-13-4.
What is the molecular formula of 6-Methoxybenzothiazole?
The molecular formula of 6-Methoxybenzothiazole is C8H7NOS.
What is the molecular weight of 6-Methoxybenzothiazole?
The molecular weight of 6-Methoxybenzothiazole is 165.02 g/mol.
Where can I buy 6-Methoxybenzothiazole?
You can request a quote for 6-Methoxybenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxybenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxybenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.