1. Primary Information
| English name: | p-Toluenesulfonic acid monohydrate |
| CAS No.: | 6192-52-5 |
| Molecular formula: | C7H10O4S |
| Molecular weight: | 190.22 g/mol |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.O |
| Structural class: | |
| Other identifiers: |
4-toluene sulfonate 4-toluenesulfonic acid 4-toluenesulfonic acid ammonium salt 4-toluenesulfonic acid monohydrate 4-toluenesulfonic acid, calcium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | AR，99% | 28 | RT | in stock | - |
| Kehua Intelligence | 500g | AR，99% | 64 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-methylbenzenesulfonic acid;hydrate
4.2 InChI
InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
4.3 InChIKey
KJIFKLIQANRMOU-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
