Back to Search
Molecule
Benzenesulfonic Acid, 2,4,6-Trimethyl-, Hydrazide
CAS: 16182-15-3 · C9H14N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16182-15-3
- Molecular Formula
- C9H14N2O2S
- Molecular Mass
- 214.29 g/mol
Identifiers
CAS Registry Number
16182-15-3
SMILES
Cc1cc(C)c(S(=O)(=O)NN)c(C)c1
InChI Key
JQUBKTQDNVZHIY-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2O2S/c1-6-4-7(2)9(8(3)5-6)14(12,13)11-10/h4-5,11H,10H2,1-3H3
Names and Synonyms
- Benzenesulfonic Acid, 2,4,6-Trimethyl-, Hydrazide Synonym
- Benzenesulfonic acid, 2,4,6-trimethyl-, hydrazide Synonym
- 2-Mesitylenesulfonic acid, hydrazide Synonym
- Mesitylenesulfonyl hydrazide Synonym
- (2,4,6-Trimethylbenzenesulfonyl)hydrazine Synonym
- 2,4,6-Trimethylbenzenesulfonic acid hydrazide Synonym
- Mesitylenesulfonic hydrazide Synonym
- (Mesitylsulfonyl)hydrazine Synonym
- N-(2,4,6-Trimethylphenylsulfonyl)hydrazine Synonym
- NSC 158041 Synonym
- 2,4,6-Trimethylbenzenesulfonohydrazide Synonym
- 2,4,6-Trimethylbenzene-1-sulfonohydrazide Synonym
- 2-Mesitylenesulfonohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.29 g/mol | CAS Common Chemistry |
| 214.283 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NN)C=1C(=CC(=CC1C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N2O2S/c1-6-4-7(2)9(8(3)5-6)14(12,13)11-10/h4-5,11H,10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JQUBKTQDNVZHIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | Benzenesulfonic acid, 2,4,6-trimethyl-, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | 0.76386 | RDKit |
| 0.7639 | RDKit | |
| Molar Refractivity | 55.161900000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 214.077598688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 214.29 g/mol. Edit any field — others recompute live.
