Benzothiazole-6-carboxylic acid
TL;DR: Benzothiazole-6-carboxylic acid (CAS 3622-35-3) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-6-carboxylic acid
Also Known As: Benzothiazole-6-carboxylic acid, 1,3-Benzothiazole-6-carboxylic acid, 6-Benzothiazolecarboxylic acid, benzo[d]thiazole-6-carboxylic acid, xianglian pill
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 3622-35-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC=N2 |
| InChIKey | DMPZJACLHDWUFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole-6-carboxylic acid (CAS 3622-35-3), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: 1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of Benzothiazole-6-carboxylic acid
Property Insights of Benzothiazole-6-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole-6-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole-6-carboxylic acid. Following Lipinski's Rule of Five, Benzothiazole-6-carboxylic acid has 1 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 Benzothiazole-6-carboxylic acid?
The CAS number of Benzothiazole-6-carboxylic acid is 3622-35-3.
What is the molecular formula of Benzothiazole-6-carboxylic acid?
The molecular formula of Benzothiazole-6-carboxylic acid is C8H5NO2S.
What is the molecular weight of Benzothiazole-6-carboxylic acid?
The molecular weight of Benzothiazole-6-carboxylic acid is 179.00 g/mol.
Where can I buy Benzothiazole-6-carboxylic acid?
You can request a quote for Benzothiazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.