3,4,5-Trimethylbenzenesulfonic acid
3,4,5-trimethylbenzenesulfonic acid
Also Known As: 3,4,5-trimethylbenzenesulfonic acid|3,4,5-Trimethyl-benzolsulfonsaeure|3,4,5-Trimethylbenzene-1-sulfonic acid
CAS: 85598-34-1
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05072 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05072 |
| Monoisotopic Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 85598-34-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)S(=O)(=O)O |
| InChIKey | ZXMVADQFVQWPEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Textile Chemicals (16 patents)
Product Overview
3,4,5-Trimethylbenzenesulfonic acid (CAS 85598-34-1), with molecular formula C9H12O3S and molecular weight 200.05072 g/mol. IUPAC: 3,4,5-trimethylbenzenesulfonic acid.
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 →
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