2-Methyl-1,3-benzothiazole-5-carboxylic acid
TL;DR: 2-Methyl-1,3-benzothiazole-5-carboxylic acid (CAS 24851-69-2) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-benzothiazole-5-carboxylic acid
Also Known As: 2-Methylbenzo[d]thiazole-5-carboxylic acid, 2-methyl-1,3-benzothiazole-5-carboxylic acid, 2-Methyl-benzothiazole-5-carboxylic acid, 5-Benzothiazolecarboxylic acid, 2-methyl-, Sulfonamide derivative,1
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 24851-69-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)C(=O)O |
| InChIKey | TVUFPZOJUJGDDD-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,3-benzothiazole-5-carboxylic acid (CAS 24851-69-2), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 2-methyl-1,3-benzothiazole-5-carboxylic acid.
Chemical Property Profile of 2-Methyl-1,3-benzothiazole-5-carboxylic acid
Property Insights of 2-Methyl-1,3-benzothiazole-5-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,3-benzothiazole-5-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,3-benzothiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-1,3-benzothiazole-5-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 2-Methyl-1,3-benzothiazole-5-carboxylic acid?
The CAS number of 2-Methyl-1,3-benzothiazole-5-carboxylic acid is 24851-69-2.
What is the molecular formula of 2-Methyl-1,3-benzothiazole-5-carboxylic acid?
The molecular formula of 2-Methyl-1,3-benzothiazole-5-carboxylic acid is C9H7NO2S.
What is the molecular weight of 2-Methyl-1,3-benzothiazole-5-carboxylic acid?
The molecular weight of 2-Methyl-1,3-benzothiazole-5-carboxylic acid is 193.02 g/mol.
Where can I buy 2-Methyl-1,3-benzothiazole-5-carboxylic acid?
You can request a quote for 2-Methyl-1,3-benzothiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-benzothiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-benzothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.