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Molecule
N-(1-Methylethyl)Sulfamoyl Chloride
CAS: 26118-67-2 · C3H8ClNO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26118-67-2
- Molecular Formula
- C3H8ClNO2S
- Molecular Mass
- 157.62 g/mol
Identifiers
CAS Registry Number
26118-67-2
SMILES
CC(C)NS(=O)(=O)Cl
InChI Key
AGRDPCWQGGNEQL-UHFFFAOYSA-N
InChI
InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3
Names and Synonyms
- N-(1-Methylethyl)Sulfamoyl Chloride Synonym
- Sulfamoyl chloride, N-(1-methylethyl)- Synonym
- Sulfamoyl chloride, isopropyl- Synonym
- Sulfamoyl chloride, (1-methylethyl)- Synonym
- N-(1-Methylethyl)sulfamoyl chloride Synonym
- Isopropylsulfamoyl chloride Synonym
- Isopropylaminosulfonyl chloride Synonym
- Isopropylaminosulfonic acid Synonym
- Isopropylamidosulfonyl chloride Synonym
- N-Isopropylsulfamoyl chloride Synonym
- N-Isopropylchlorosulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.62 g/mol | CAS Common Chemistry |
| 157.62199999999999 g/mol | RDKit | |
| 157.622 g/mol | RDKit | |
| 157.612 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.996427176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 157.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8ClNO2S.
