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Piloty'S Acid
CAS: 599-71-3 | C6H7NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
599-71-3
Molecular Formula:
C6H7NO3S
Molecular Mass:
173.19 g/mol
Names and Synonyms:
Piloty'S Acid
Benzenesulfonamide, N-hydroxy-
N-Hydroxybenzenesulfonamide
Hydroxylamine, N-(phenylsulfonyl)-
Piloty's acid
Benzenesulfohydroxamic acid
N-(Phenylsulfonyl)hydroxylamine
NSC 45357
Identifiers:
SMILES:
O=S(=O)(NO)c1ccccc1
InChI:
InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
Key Properties
Melting Point
186 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.19 g/mol | CAS Common Chemistry |
| 173.193 g/mol | RDKit | |
| 173.014664084 g/mol | RDKit | |
| 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 |
| Piloty's acid | 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 |
| Molar Refractivity | 38.55000000000002 | RDKit |
