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2,4,6-Triisopropylbenzenesulfonyl Azide
CAS: 36982-84-0 | C15H23N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36982-84-0
Molecular Formula:
C15H23N3O2S
Molecular Mass:
309.44 g/mol
Names and Synonyms:
2,4,6-Triisopropylbenzenesulfonyl Azide
Benzenesulfonyl azide, 2,4,6-tris(1-methylethyl)-
2,4,6-Tris(1-methylethyl)benzenesulfonyl azide
2,4,6-Triisopropylphenylsulfonyl azide
2,4,6-Triisopropylbenzenesulfonyl azide
Trisyl azide
2,4,6-Tris(isopropyl)benzenesulfonyl azide
NSC 646156
2,4,6-Tris(propan-2-yl)benzene-1-sulfonyl azide
Identifiers:
SMILES:
CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1
InChI:
InChI=1S/C15H23N3O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)21(19,20)18-17-16/h7-11H,1-6H3
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 | 309.44 g/mol | CAS Common Chemistry |
| 309.435 g/mol | RDKit | |
| 309.151097976 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,4,6-Triisopropylbenzenesulfonyl_azide | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=NS(=O)(=O)C=1C(=CC(=CC1C(C)C)C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H23N3O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)21(19,20)18-17-16/h7-11H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AEMWUHCKKDPRSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trisyl azide | CAS Common Chemistry |
| 2,4,6-Triisopropylbenzenesulfonyl azide | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.9 Ų | RDKit |
| LogP | 5.055800000000005 | RDKit |
| Molar Refractivity | 85.04080000000005 | RDKit |
