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Molecule
Methanesulfonic Acid
CAS: 75-75-2 · CH4O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-75-2
- Molecular Formula
- CH4O3S
- Molecular Mass
- 96.11 g/mol
Identifiers
CAS Registry Number
75-75-2
SMILES
CS(=O)(=O)O
InChI Key
AFVFQIVMOAPDHO-UHFFFAOYSA-N
InChI
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
Names and Synonyms
- Methanesulfonic Acid Common Name
- Methanesulfonic acid Synonym
- Methylsulfonic acid Synonym
- MCAT 1201 Synonym
- NSC 3718 Synonym
- Scaleva Synonym
- Mesylic acid Synonym
- Lutropure MAS Synonym
- Lutropur MSA Synonym
- Lutropur G 100 Synonym
- Circuposit Neutralizer 3319/4190 Synonym
- Methanesulfonic acids Synonym
- Mesylates Synonym
- Lutropur MSA 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.11 g/mol | CAS Common Chemistry |
| 96.107 g/mol | RDKit | |
| 96.1 g/mol | chempirical lib | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.4812 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=AFVFQIVMOAPDHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C | CAS Common Chemistry |
| Name | Methanesulfonic acid | 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 | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | -0.49599999999999983 | RDKit |
| -0.496 | RDKit | |
| Molar Refractivity | 17.472600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 95.988114988 g/mol | RDKit |
| Boiling Point | 167 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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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Quick conversion
MW = 96.11 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
