Back to Search
1-Allylcyclopropanesulfonyl Chloride
CAS: 923032-59-1 | C6H9ClO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
923032-59-1
Molecular Formula:
C6H9ClO2S
Molecular Mass:
180.66 g/mol
Names and Synonyms:
1-Allylcyclopropanesulfonyl Chloride
Cyclopropanesulfonyl chloride, 1-(2-propen-1-yl)-
1-(2-Propen-1-yl)cyclopropanesulfonyl chloride
1-Allylcyclopropanesulfonyl chloride
1-Allylcyclopropane-1-sulfonyl Chloride
1-Allyl-1-cyclopropylsulfonyl chloride
Identifiers:
SMILES:
C=CCC1(S(=O)(=O)Cl)CC1
InChI:
InChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2
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 | 180.66 g/mol | CAS Common Chemistry |
| 180.65599999999995 g/mol | RDKit | |
| 180.001178208 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(Cl)C1(CC=C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H9ClO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AQYNREAFYINZPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Allylcyclopropanesulfonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 1.6637 | RDKit |
| Molar Refractivity | 41.55180000000002 | RDKit |
