Isothiazole-5-carboxylic acid
TL;DR: Isothiazole-5-carboxylic acid (CAS 10271-85-9) is a chemical compound with molecular formula C4H3NO2S and molecular weight 128.98845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-thiazole-5-carboxylic acid
Also Known As: Isothiazole-5-carboxylic acid, 5-isothiazolecarboxylic acid, 1,2-thiazole-5-carboxylic acid, 5-Isothiazolecarboxylicacid, Isothiazole-5-carboxylicacid
Technical Specifications
| Molecular Formula | C4H3NO2S |
| Molecular Weight | 128.98845 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.98845 Da |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| SMILES | C1=C(SN=C1)C(=O)O |
| InChIKey | GGYXPOOZYZHPLB-UHFFFAOYSA-N |
Chemical Property Profile of Isothiazole-5-carboxylic acid
Property Insights of Isothiazole-5-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazole-5-carboxylic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiazole-5-carboxylic acid. Following Lipinski's Rule of Five, Isothiazole-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
What is the CAS number of Isothiazole-5-carboxylic acid?
The CAS number of Isothiazole-5-carboxylic acid is 10271-85-9.
What is the molecular formula of Isothiazole-5-carboxylic acid?
The molecular formula of Isothiazole-5-carboxylic acid is C4H3NO2S.
What is the molecular weight of Isothiazole-5-carboxylic acid?
The molecular weight of Isothiazole-5-carboxylic acid is 128.98845 g/mol.
Where can I buy Isothiazole-5-carboxylic acid?
You can request a quote for Isothiazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Isothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.