4-Aminophenyl 4-methylbenzenesulfonate
(4-aminophenyl) 4-methylbenzenesulfonate
Also Known As: 4-Aminophenyl 4-methylbenzenesulfonate|Jsp006790|(4-aminophenyl) 4-methylbenzenesulfonate|p-toluenesulfonic acid p-aminophenyl ester|Toluene-4-sulfonic acid 4-amino-phenyl ester|4-aminophenyl 4-methyl-1-benzenesulfonate|4-aminophenyl 4-methylbenzene-1-sulfonate|4-Aminophenyl 4-methylbenzenesulfonate #|BAS 00154487|4-aminophenyl-4-toluenesulfonic acid ester|J3.538.800A|4-Methylbenzenesulfonic acid 4-aminophenyl ester|AE-641/00780049
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.0616 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0616 |
| Monoisotopic Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 3899-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N |
| InChIKey | CUDKLDVRGQPLQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl 4-methylbenzenesulfonate (CAS 3899-93-2), with molecular formula C13H13NO3S and molecular weight 263.0616 g/mol. IUPAC: (4-aminophenyl) 4-methylbenzenesulfonate.