Hexyl p-Toluenesulfonate
hexyl 4-methylbenzenesulfonate
Also Known As: Hexyl p-Toluenesulfonate|Hexyl 4-methylbenzenesulfonate|hexyl tosylate|Dabigatran impurity 95|p-Toluenesulfonic acid n-hexyl ester|hexyl 4-methylbenzene-1-sulfonate|Hexyl?p-Toluenesulfonate|n-hexyl p-toluenesulfonate|hexyl4-methylbenzenesulfonate|ACMC-209j00|p-Toluenesulfonic Acid Hexyl Ester|Hexyl 4-methylbenzenesulfonate #|Dabigatran Etexilate Impurity 92|KS-00000UD8|P-TOLUENESULFONICACIDN-HEXYLESTER|4-Methylbenzenesulfonic acid hexyl ester|Benzenesulfonic acid,4-methyl-, hexyl ester|P-TOLUENESULFONIC ACID, N-HEXYL ESTER|benzenesulfonic acid, 4-methyl-, hexyl ester
| Molecular Formula | C13H20O3S |
|---|---|
| Molecular Weight | 256.1133 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.1133 |
| Monoisotopic Mass | 256.1133 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 4855-71-4 |
|---|---|
| SMILES | CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | IVQOVYWBHRSGJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl p-Toluenesulfonate (CAS 4855-71-4), with molecular formula C13H20O3S and molecular weight 256.1133 g/mol. IUPAC: hexyl 4-methylbenzenesulfonate.
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