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Methanesulfonic Anhydride
CAS: 7143-01-3 | C2H6O5S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7143-01-3
Molecular Formula:
C2H6O5S2
Molecular Mass:
174.20 g/mol
Names and Synonyms:
Methanesulfonic Anhydride
Methanesulfonic acid, 1,1′-anhydride
Methanesulfonic anhydride
Methanesulfonic acid, anhydride
Mesyl anhydride
Methanesulfonyl anhydride
NSC 65906
Identifiers:
SMILES:
CS(=O)(=O)OS(C)(=O)=O
InChI:
InChI=1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3
Key Properties
Boiling Point
105-109 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
63-63.5 °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 | 174.20 g/mol | CAS Common Chemistry |
| 174.19899999999998 g/mol | RDKit | |
| 173.965665292 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonic_anhydride | CAS Common Chemistry |
| Boiling Point | 105-109 °C @ Press: 1 Torr | 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 |
| Molar Refractivity | 30.77259999999999 | RDKit |
