2-Cyano-6-methoxy benzothiazole
TL;DR: 2-Cyano-6-methoxy benzothiazole (CAS 943-03-3) is a chemical compound with molecular formula C9H6N2OS and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-benzothiazole-2-carbonitrile
Also Known As: 2-Cyano-6-methoxybenzothiazole, 6-methoxybenzo[d]thiazole-2-carbonitrile, 6-Methoxy-1,3-benzothiazole-2-carbonitrile, 6-Methoxy-2-benzothiazolecarbonitrile, 6-methoxybenzothiazole-2-carbonitrile
| Molecular Formula | C9H6N2OS |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02008 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 943-03-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)C#N |
| InChIKey | DEWDWBYQOFXKIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-6-methoxy benzothiazole (CAS 943-03-3), with molecular formula C9H6N2OS and molecular weight 190.02 g/mol. IUPAC: 6-methoxy-1,3-benzothiazole-2-carbonitrile.
Chemical Property Profile of 2-Cyano-6-methoxy benzothiazole
Property Insights of 2-Cyano-6-methoxy benzothiazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-6-methoxy benzothiazole. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-6-methoxy benzothiazole. Following Lipinski's Rule of Five, 2-Cyano-6-methoxy benzothiazole has 0 hydrogen bond donor(s) and 4 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-Cyano-6-methoxy benzothiazole?
The CAS number of 2-Cyano-6-methoxy benzothiazole is 943-03-3.
What is the molecular formula of 2-Cyano-6-methoxy benzothiazole?
The molecular formula of 2-Cyano-6-methoxy benzothiazole is C9H6N2OS.
What is the molecular weight of 2-Cyano-6-methoxy benzothiazole?
The molecular weight of 2-Cyano-6-methoxy benzothiazole is 190.02 g/mol.
Where can I buy 2-Cyano-6-methoxy benzothiazole?
You can request a quote for 2-Cyano-6-methoxy benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-6-methoxy benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-6-methoxy benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.