5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
TL;DR: 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid (CAS 6533-22-8) is a chemical compound with molecular formula C9H6N2O2S and molecular weight 206.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylthiadiazole-4-carboxylic acid
Also Known As: 5-phenyl-1,2,3-thiadiazole-4-carboxylic acid, 5-phenylthiadiazole-4-carboxylic acid, 1,2,3-Thiadiazole-4-carboxylicacid, 5-phenyl-, 5-phenyl-[1,2,3]thiadiazole-4-carboxylic acid
| Molecular Formula | C9H6N2O2S |
|---|---|
| Molecular Weight | 206.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.015 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 6533-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NS2)C(=O)O |
| InChIKey | XPQVOJPPGWAQKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid (CAS 6533-22-8), with molecular formula C9H6N2O2S and molecular weight 206.01 g/mol. IUPAC: 5-phenylthiadiazole-4-carboxylic acid.
Chemical Property Profile of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
Property Insights of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid?
The CAS number of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid is 6533-22-8.
What is the molecular formula of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid?
The molecular formula of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid is C9H6N2O2S.
What is the molecular weight of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid?
The molecular weight of 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid is 206.01 g/mol.
Where can I buy 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid?
You can request a quote for 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.