3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate
3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate
Also Known As: 1-(3-methylbutyl)-1H-benzimidazole-2-sulfonic acid|3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate
CAS: 537009-99-7
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.08817 g/mol |
| LogP | 1.4056 |
| Topological Polar Surface Area | 76.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.08817 |
| Monoisotopic Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 659.0124 |
Chemical Identifiers
| CAS Number | 537009-99-7 |
|---|---|
| SMILES | CC(C)CC[N+]1=C(NC2=CC=CC=C21)S(=O)(=O)[O-] |
Product Overview
3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate (CAS 537009-99-7), with molecular formula C12H16N2O3S and molecular weight 268.08817 g/mol. IUPAC: 3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate.
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 →
3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-sulfonate is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »