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Methanesulfonamide
CAS: 3144-09-0 | CH5NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3144-09-0
Molecular Formula:
CH5NO2S
Molecular Weight:
95.12299999999999 g/mol
Names and Synonyms:
Methanesulfonamide
Synonym
Methanesulfonamide
Synonym
Methylsulfonamide
Synonym
Methanesulphonamide
Synonym
Methanesulfonic amide
Synonym
Mesylamide
Synonym
NSC 191039
Synonym
NSC 271
Synonym
Identifiers:
SMILES:
CS(N)(=O)=O
InChI:
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 95.12 g/mol | Legacy Database |
| cas-canonical-smile | O=S(=O)(N)C None | Legacy Database |
| cas-inchi | InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 88 °C None | Legacy Database |
| cas-name | Methanesulfonamide None | Legacy Database |
| LogP | -1.0952999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.12299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.0040994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.031200000000002 | RDKit |