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Molecule
4-Methoxybenzenesulfonic Acid Hydrazide
CAS: 1950-68-1 · C7H10N2O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1950-68-1
- Molecular Formula
- C7H10N2O3S
- Molecular Mass
- 202.24 g/mol
Identifiers
CAS Registry Number
1950-68-1
SMILES
COc1ccc(S(=O)(=O)NN)cc1
InChI Key
UIWFWZLAICURGT-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3
Names and Synonyms
- 4-Methoxybenzenesulfonic Acid Hydrazide Systematic Name
- Benzenesulfonic acid, 4-methoxy-, hydrazide Synonym
- Benzenesulfonic acid, p-methoxy-, hydrazide Synonym
- 4-Methoxybenzenesulfonic acid hydrazide Synonym
- p-Methoxybenzenesulfonic acid hydrazide Synonym
- p-Methoxyphenylsulfonyl hydrazide Synonym
- (p-Methoxyphenylsulfonyl)hydrazine Synonym
- (p-Methoxybenzenesulfonyl)hydrazine Synonym
- p-Methoxybenzenesulfonic hydrazide Synonym
- 4-Methoxybenzenesulfonylhydrazide Synonym
- p-Methoxybenzenesulfonyl hydrazide Synonym
- (4-Methoxybenzenesulfonyl)hydrazine Synonym
- NSC 267215 Synonym
- ((4-Methoxyphenyl)sulfonyl)hydrazine Synonym
- 4-Methoxybenzenesulfonohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.24 g/mol | CAS Common Chemistry |
| 202.235 g/mol | RDKit | |
| 202.228 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NN)C1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UIWFWZLAICURGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzenesulfonic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.42 Ų | RDKit |
| LogP | -0.1528000000000002 | RDKit |
| -0.1528 | RDKit | |
| Molar Refractivity | 47.50290000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 202.04121318 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 202.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O3S.
