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Molecule
Piloty'S Acid
CAS: 599-71-3 · C6H7NO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 599-71-3
- Molecular Formula
- C6H7NO3S
- Molecular Mass
- 173.19 g/mol
Identifiers
CAS Registry Number
599-71-3
SMILES
O=S(=O)(NO)c1ccccc1
InChI Key
BRMDATNYMUMZLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
Names and Synonyms
- Piloty'S Acid Synonym
- Benzenesulfonamide, N-hydroxy- Synonym
- N-Hydroxybenzenesulfonamide Synonym
- Hydroxylamine, N-(phenylsulfonyl)- Synonym
- Piloty's acid Synonym
- Benzenesulfohydroxamic acid Synonym
- N-(Phenylsulfonyl)hydroxylamine Synonym
- NSC 45357 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.19 g/mol | CAS Common Chemistry |
| 173.193 g/mol | RDKit | |
| 173.186 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Piloty%27s_acid | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(NO)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=BRMDATNYMUMZLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186 °C | CAS Common Chemistry |
| Name | N-Hydroxybenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.4 Ų | RDKit |
| LogP | 0.35409999999999997 | RDKit |
| 0.3541 | RDKit | |
| Molar Refractivity | 38.55000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.014664084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 173.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO3S.
