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Molecule
Tosylhydrazine
CAS: 1576-35-8 · C7H10N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1576-35-8
- Molecular Formula
- C7H10N2O2S
- Molecular Mass
- 186.24 g/mol
Identifiers
CAS Registry Number
1576-35-8
SMILES
Cc1ccc(S(=O)(=O)NN)cc1
InChI Key
ICGLPKIVTVWCFT-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
Names and Synonyms
- Tosylhydrazine Synonym
- Benzenesulfonic acid, 4-methyl-, hydrazide Synonym
- p-Toluenesulfonic acid, hydrazide Synonym
- p-Toluenesulfonhydrazide Synonym
- Toluene-4-sulfonyl hydrazide Synonym
- 4-Toluenesulfonic acid hydrazide Synonym
- Tosylhydrazine Synonym
- (p-Tolylsulfonyl)hydrazine Synonym
- p-Toluenesulfonic hydrazide Synonym
- p-Toluenesulfonylhydrazine Synonym
- p-Tolylsulfonyl hydrazide Synonym
- p-Tosylhydrazine Synonym
- (4-Tolylsulfonyl)hydrazide Synonym
- p-Methylbenzenesulfonic acid hydrazide Synonym
- Tosylhydrazide Synonym
- Celogen TSH Synonym
- 4-Methylbenzenesulfonic acid hydrazide Synonym
- p-Methylbenzenesulfonylhydrazine Synonym
- p-Methylphenylsulfonylhydrazine Synonym
- 4-Methylbenzenesulfonyl hydrazide Synonym
- p-Tosyl hydrazide Synonym
- p-Toluenesulfonyl hydrazide Synonym
- Unifor H Synonym
- 4-Toluenesulfonohydrazine Synonym
- Cellmic H Synonym
- p-Toluenesulfonohydrazide Synonym
- (4-Methylphenylsulfonyl)hydrazine Synonym
- Genitron PTS Synonym
- Unifor NH 500 Synonym
- Cellmic AH Synonym
- 4-Methylphenylsulfonyl hydrazide Synonym
- Porofor TSH 75 Synonym
- NSC 18715 Synonym
- 4-Methylbenzenesulfonohydrazide Synonym
- Toluene-4-sulfonohydrazide Synonym
- Porofor TSH Synonym
- N-Tosylhydrazine Synonym
- TSH Synonym
- 4-Methylbenzene-1-sulfonohydrazide Synonym
- 4-Methylbenzenesulfonhydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.24 g/mol | CAS Common Chemistry |
| 186.23600000000002 g/mol | RDKit | |
| 186.236 g/mol | RDKit | |
| 186.229 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NN)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ICGLPKIVTVWCFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C (decomp) | CAS Common Chemistry |
| Name | Tosylhydrazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 0.14701999999999982 | RDKit |
| 0.147 | RDKit | |
| Molar Refractivity | 45.68790000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 186.04629856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 |
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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 = 186.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O2S.
