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Dimethylsulfamoyl Chloride
CAS: 13360-57-1 | C2H6ClNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13360-57-1
Molecular Formula:
C2H6ClNO2S
Molecular Weight:
143.595 g/mol
Names and Synonyms:
Dimethylsulfamoyl Chloride
Sulfamoyl chloride, N,N-dimethyl-
Sulfamoyl chloride, dimethyl-
N,N-Dimethylsulfamoyl chloride
Dimethylsulfamoyl chloride
Dimethylamidosulfonyl chloride
Dimethylaminosulfonyl chloride
N,N-Dimethylsulfamyl chloride
N,N-Dimethylamidosulfonyl chloride
N,N-Dimethylaminosulfonyl chloride
NSC 93875
Dimethylsulphamoyl chloride
Identifiers:
SMILES:
CN(C)S(=O)(=O)Cl
InChI:
InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.595 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.980777112 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.38 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.031600000000000295 | RDKit |
| cas-canonical-smile | O=S(=O)(Cl)N(C)C None | Legacy Database |
| molecular_mass | 143.60 g/mol | Legacy Database |
| cas-boiling-point | 74-76 °C @ Press: 12 Torr None | Legacy Database |
| cas-inchi | InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JFCHSQDLLFJHOA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Dimethylsulfamoyl chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.459799999999994 | RDKit |
