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Molecule
Methanesulfonamide
CAS: 3144-09-0 · CH5NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3144-09-0
- Molecular Formula
- CH5NO2S
- Molecular Mass
- 95.12 g/mol
Identifiers
CAS Registry Number
3144-09-0
SMILES
CS(N)(=O)=O
InChI Key
HNQIVZYLYMDVSB-UHFFFAOYSA-N
InChI
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
Names and Synonyms
- Methanesulfonamide Synonym
- Methanesulfonamide Synonym
- Methylsulfonamide Synonym
- Methanesulphonamide Synonym
- Methanesulfonic amide Synonym
- Mesylamide Synonym
- NSC 191039 Synonym
- NSC 271 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 95.12 g/mol | CAS Common Chemistry |
| 95.12299999999999 g/mol | RDKit | |
| 95.123 g/mol | RDKit | |
| 95.116 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C | CAS Common Chemistry |
| InChI | InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | Methanesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| 60.16 Ų | RDKit | |
| LogP | -1.0952999999999997 | RDKit |
| -1.0953 | RDKit | |
| Molar Refractivity | 19.031200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 95.0040994 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.
External Resources
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MW = 95.12 g/mol. Edit any field — others recompute live.
