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Molecule
Methanesulfonic Anhydride
CAS: 7143-01-3 · C2H6O5S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7143-01-3
- Molecular Formula
- C2H6O5S2
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
7143-01-3
SMILES
CS(=O)(=O)OS(C)(=O)=O
InChI Key
IZDROVVXIHRYMH-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3
Names and Synonyms
- Methanesulfonic Anhydride Synonym
- Methanesulfonic acid, 1,1′-anhydride Synonym
- Methanesulfonic anhydride Synonym
- Methanesulfonic acid, anhydride Synonym
- Mesyl anhydride Synonym
- Methanesulfonyl anhydride Synonym
- NSC 65906 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.19899999999998 g/mol | RDKit | |
| 174.199 g/mol | RDKit | |
| 174.185 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonic_anhydride | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(OS(=O)(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IZDROVVXIHRYMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-63.5 °C | CAS Common Chemistry |
| Name | Methanesulfonic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.51 Ų | RDKit |
| LogP | -1.0777999999999999 | RDKit |
| -1.0778 | RDKit | |
| Molar Refractivity | 30.77259999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.965665292 g/mol | RDKit |
| Boiling Point | 105-109 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 174.20 g/mol. Edit any field — others recompute live.
