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Molecule
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
Identifiers
CAS Registry Number
39085-59-1
SMILES
CC(C)c1cc(C(C)C)c(S(=O)(=O)NN)c(C(C)C)c1
InChI Key
UGRVYFQFDZRNMQ-UHFFFAOYSA-N
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
Names and Synonyms
- 2,4,6-Triisopropylbenzenesulfonyl Hydrazide Synonym
- Benzenesulfonic acid, 2,4,6-tris(1-methylethyl)-, hydrazide Synonym
- 2,4,6-Triisopropylbenzenesulfonyl hydrazide Synonym
- 2,4,6-Triisopropylbenzenesulfonohydrazide Synonym
- (2,4,6-Triisopropylbenzenesulfonyl)hydrazine Synonym
- Trisylhydrazine Synonym
- 2,4,6-Triisopropylbenzenesulfonic acid hydrazide Synonym
- [(2,4,6-Triisopropylphenyl)sulfonyl] hydrazide Synonym
- Trisylhydrazide Synonym
- NSC 620119 Synonym
- 2,4,6-Triisopropylphenylsulfonylhydrazine Synonym
- 2,4,6-Tri(propan-2-yl)benzenesulfonohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.45 g/mol | CAS Common Chemistry |
| 298.452 g/mol | RDKit | |
| 298.445 g/mol | chempirical lib | |
| 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 |
| 3.2088 | RDKit | |
| Molar Refractivity | 83.21790000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 298.171499072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 298.45 g/mol. Edit any field — others recompute live.
