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2,4,6-Triisopropylbenzenesulfonyl Hydrazide
CAS: 39085-59-1 | C15H26N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39085-59-1
Molecular Formula:
C15H26N2O2S
Molecular Mass:
298.45 g/mol
Names and Synonyms:
2,4,6-Triisopropylbenzenesulfonyl Hydrazide
Benzenesulfonic acid, 2,4,6-tris(1-methylethyl)-, hydrazide
2,4,6-Triisopropylbenzenesulfonyl hydrazide
2,4,6-Triisopropylbenzenesulfonohydrazide
(2,4,6-Triisopropylbenzenesulfonyl)hydrazine
Trisylhydrazine
2,4,6-Triisopropylbenzenesulfonic acid hydrazide
[(2,4,6-Triisopropylphenyl)sulfonyl] hydrazide
Trisylhydrazide
NSC 620119
2,4,6-Triisopropylphenylsulfonylhydrazine
2,4,6-Tri(propan-2-yl)benzenesulfonohydrazide
Identifiers:
SMILES:
CC(C)c1cc(C(C)C)c(S(=O)(=O)NN)c(C(C)C)c1
InChI:
InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3
Key Properties
Melting Point
117-119 °C @ Solvent: Water
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.45 g/mol | CAS Common Chemistry |
| 298.452 g/mol | RDKit | |
| 298.171499072 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NN)C=1C(=CC(=CC1C(C)C)C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UGRVYFQFDZRNMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117-119 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 2,4,6-Triisopropylbenzenesulfonyl hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | 3.208800000000002 | RDKit |
| Molar Refractivity | 83.21790000000004 | RDKit |
