![3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid structure](/static/products/5652/565210-75-5.webp)
3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
Also Known As: 3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid|3-(4H-[1,2,4]Triazol-3-ylsulfanylmethyl)-benzofuran-2-carboxylic acid|SR-01000045357-1|3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid|3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxylic acid|3-(2H-1,2,4-triazol-3-ylsulfanylmethyl)benzofuran-2-carboxylic Acid|3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylicacid
| Molecular Formula | C12H9N3O3S |
|---|---|
| Molecular Weight | 275.03647 g/mol |
| LogP | 2.5414 |
| Topological Polar Surface Area | 92.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.03647 |
| Monoisotopic Mass | 275.03647 |
| Heavy Atoms | 19 |
| Complexity | 720.9869 |
Chemical Identifiers
| CAS Number | 565210-75-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=NC=NN3 |
Product Overview
3-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid (CAS 565210-75-5), with molecular formula C12H9N3O3S and molecular weight 275.03647 g/mol. IUPAC: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid.