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Molecule
4-Hydrazinobenzenesulfonamide
CAS: 4392-54-5 · C6H9N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4392-54-5
- Molecular Formula
- C6H9N3O2S
- Molecular Mass
- 187.22 g/mol
Identifiers
CAS Registry Number
4392-54-5
SMILES
NNc1ccc(S(N)(=O)=O)cc1
InChI Key
NBJSNAGTUCWQRO-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
Names and Synonyms
- 4-Hydrazinobenzenesulfonamide Synonym
- Benzenesulfonamide, 4-hydrazinyl- Synonym
- Benzenesulfonamide, p-hydrazino- Synonym
- Benzenesulfonamide, 4-hydrazino- Synonym
- 4-Hydrazinylbenzenesulfonamide Synonym
- (p-Sulfamoylphenyl)hydrazine Synonym
- (4-Sulfamoylphenyl)hydrazine Synonym
- 4-(Aminosulfonyl)phenylhydrazine Synonym
- p-Hydrazinobenzenesulfonamide Synonym
- 4-Hydrazinobenzenesulfonamide Synonym
- NSC 73246 Synonym
- N-(4-Aminosulfonylphenyl)hydrazine Synonym
- Resist H Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.22 g/mol | CAS Common Chemistry |
| 187.224 g/mol | RDKit | |
| 187.217 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=NBJSNAGTUCWQRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | 4-Hydrazinobenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.20999999999998 Ų | RDKit |
| 98.21 Ų | RDKit | |
| LogP | -0.3803999999999996 | RDKit |
| -0.3804 | RDKit | |
| Molar Refractivity | 45.6253 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.041547528 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 |
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200 ppm
180
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20
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| 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 = 187.22 g/mol. Edit any field — others recompute live.
