5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid
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
CAS: 6533-22-8
| Molecular Formula | C9H6N2O2S |
|---|---|
| Molecular Weight | 206.015 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 |
| Monoisotopic 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.
Heterocyclic Building Blocks (71 patents)
Organic Building Blocks (5 patents)
Pharmaceutical Intermediates (33 patents)
Product Overview
5-Phenyl-1,2,3-thiadiazole-4-carboxylic acid (CAS 6533-22-8), with molecular formula C9H6N2O2S and molecular weight 206.015 g/mol. IUPAC: 5-phenylthiadiazole-4-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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