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Molecule
Dimethylsulfamoyl Chloride
CAS: 13360-57-1 · C2H6ClNO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13360-57-1
- Molecular Formula
- C2H6ClNO2S
- Molecular Mass
- 143.60 g/mol
Identifiers
CAS Registry Number
13360-57-1
SMILES
CN(C)S(=O)(=O)Cl
InChI Key
JFCHSQDLLFJHOA-UHFFFAOYSA-N
InChI
InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3
Names and Synonyms
- Dimethylsulfamoyl Chloride Synonym
- Sulfamoyl chloride, N,N-dimethyl- Synonym
- Sulfamoyl chloride, dimethyl- Synonym
- N,N-Dimethylsulfamoyl chloride Synonym
- Dimethylsulfamoyl chloride Synonym
- Dimethylamidosulfonyl chloride Synonym
- Dimethylaminosulfonyl chloride Synonym
- N,N-Dimethylsulfamyl chloride Synonym
- N,N-Dimethylamidosulfonyl chloride Synonym
- N,N-Dimethylaminosulfonyl chloride Synonym
- NSC 93875 Synonym
- Dimethylsulphamoyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.60 g/mol | CAS Common Chemistry |
| 143.595 g/mol | RDKit | |
| 143.585 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(Cl)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JFCHSQDLLFJHOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethylsulfamoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 0.031600000000000295 | RDKit |
| 0.0316 | RDKit | |
| Molar Refractivity | 28.459799999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.980777112 g/mol | RDKit |
| Boiling Point | 74-76 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 143.60 g/mol. Edit any field — others recompute live.
