2,4,5-Trimethylbenzenesulfonic acid
2,4,5-trimethylbenzenesulfonic acid
Also Known As: 2,4,5-trimethylbenzenesulfonic acid|2,4,5-trimethyl-Benzenesulfonicacid|Benzenesulfonic acid, 2,4,5-trimethyl-|2,4,5-Trimethylbenzenesulfonicacid|2,4,5-trimethylbenzene-1-sulfonic acid|4168AB|1,2,4-TriMethyl-5-benzenesulfonic acid|2,4,5-trimethyl-benzenesulfonic acid|4-Amino-7-(trifluoromethyl)quinoline|QC-2078|I01-7509
| 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 | 265.0 |
Chemical Identifiers
| CAS Number | 3453-84-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)O)C |
| InChIKey | RFDZNGIWELUYOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethylbenzenesulfonic acid (CAS 3453-84-7), with molecular formula C9H12O3S and molecular weight 200.05072 g/mol. IUPAC: 2,4,5-trimethylbenzenesulfonic acid.
2,4,5-Trimethylbenzenesulfonic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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