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N-(1-Methylethyl)Sulfamoyl Chloride
CAS: 26118-67-2 | C3H8ClNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26118-67-2
Molecular Formula:
C3H8ClNO2S
Molecular Mass:
157.62 g/mol
Names and Synonyms:
N-(1-Methylethyl)Sulfamoyl Chloride
Sulfamoyl chloride, N-(1-methylethyl)-
Sulfamoyl chloride, isopropyl-
Sulfamoyl chloride, (1-methylethyl)-
N-(1-Methylethyl)sulfamoyl chloride
Isopropylsulfamoyl chloride
Isopropylaminosulfonyl chloride
Isopropylaminosulfonic acid
Isopropylamidosulfonyl chloride
N-Isopropylsulfamoyl chloride
N-Isopropylchlorosulfonamide
Identifiers:
SMILES:
CC(C)NS(=O)(=O)Cl
InChI:
InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.62 g/mol | CAS Common Chemistry |
| 157.62199999999999 g/mol | RDKit | |
| 156.996427176 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(Cl)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AGRDPCWQGGNEQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(1-Methylethyl)sulfamoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 0.468 | RDKit |
| Molar Refractivity | 33.04449999999999 | RDKit |
