2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: Oprea1_813839|(6-Ethoxy-1H-benzoimidazol-2-ylsulfanyl)-acetic acid|2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid|2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid|2-(5-ethoxybenzimidazol-2-ylthio)acetic acid|[(5-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid|[(5-ethoxy-1H-benzimidazol-2-yl)thio]acetic acid|[(6-ethoxy-1h-benzimidazol-2-yl)thio]acetic acid|AE-848/11905004|SR-01000026796-1|(6-ethoxy-1 h-benzoimidazol-2-ylsulfanyl)-acetic acid|2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)aceticacid|(6-ETHOXY-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETICACID|2-(6-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanylacetic acid|2-[(6-ethoxy-1H-benzoimidazol-2-yl)sulfanyl]acetic Acid
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.05687 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.05687 |
| Monoisotopic Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 4813-89-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)O |
| InChIKey | PDUCFBXPHICEPX-UHFFFAOYSA-N |
Product Overview
2-((6-Ethoxy-1H-benzo[d]imidazol-2-yl)thio)acetic acid (CAS 4813-89-2), with molecular formula C11H12N2O3S and molecular weight 252.05687 g/mol. IUPAC: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetic acid.