4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid
TL;DR: 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid (CAS 1024058-35-2) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
Also Known As: 4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid, 4,5,6,7-Tetrahydrobenzo[d]thiazole-2-carboxylic acid, 1-naphthalen-1-ylmethyl-1H-indole, W-6162, 4,5,6,7-tetrahydro-2-Benzothiazolecarboxylic acid
Technical Specifications
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.0354 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0354 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| SMILES | C1CCC2=C(C1)N=C(S2)C(=O)O |
| InChIKey | URJVHPYSDFTUKA-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid
Property Insights of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-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
What is the CAS number of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid?
The CAS number of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid is 1024058-35-2.
What is the molecular formula of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid?
The molecular formula of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid is C8H9NO2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid?
The molecular weight of 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid is 183.0354 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid?
You can request a quote for 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.