2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid
TL;DR: 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid (CAS 43023-70-7) is a chemical compound with molecular formula C8H5NO2S2 and molecular weight 210.97617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylic acid
Also Known As: 2-sulfanyl-1,3-benzothiazole-5-carboxylic acid, 2-Mercapto-benzothiazol-5-carboxylic acid, 2-sulfanylbenzothiazole-5-carboxylic acid, 2-MERCAPTO-5-BENZOTHIAZOLECARBOXYLIC ACID, 5-Benzothiazolecarboxylic acid, 2,3-dihydro-2-thioxo-
Technical Specifications
| Molecular Formula | C8H5NO2S2 |
| Molecular Weight | 210.97617 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.97617 Da |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
| SMILES | C1=CC2=C(C=C1C(=O)O)NC(=S)S2 |
| InChIKey | NLPZRWDNWKLLCI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid
Property Insights of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid has 2 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 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid?
The CAS number of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid is 43023-70-7.
What is the molecular formula of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid?
The molecular formula of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid is C8H5NO2S2.
What is the molecular weight of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid?
The molecular weight of 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid is 210.97617 g/mol.
Where can I buy 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid?
You can request a quote for 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Sulfanyl-1,3-benzothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.