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Molecule
2-Propanesulfonyl Chloride
CAS: 10147-37-2 · C3H7ClO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10147-37-2
- Molecular Formula
- C3H7ClO2S
- Molecular Mass
- 142.61 g/mol
Identifiers
CAS Registry Number
10147-37-2
SMILES
CC(C)S(=O)(=O)Cl
InChI Key
DRINJBFRTLBHNF-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
Names and Synonyms
- 2-Propanesulfonyl Chloride Systematic Name
- 2-Propanesulfonyl chloride Synonym
- Isopropanesulfonyl chloride Synonym
- Isopropylsulfonyl chloride Synonym
- 2-Propylsulfonyl chloride Synonym
- i-Propanesulfonyl chloride Synonym
- 1-Methylethylsulfonyl chloride Synonym
- Isopropyl-2-sulfonyl chloride Synonym
- Propan-2-ylsulfonyl chloride Synonym
- Propan-2-sulfonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.61 g/mol | CAS Common Chemistry |
| 142.607 g/mol | RDKit | |
| 142.597 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2645 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(Cl)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DRINJBFRTLBHNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -47 °C | CAS Common Chemistry |
| Name | 2-Propanesulfonyl 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 | 34.14 Ų | RDKit |
| LogP | 0.9634 | RDKit |
| Molar Refractivity | 29.90879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.985528144 g/mol | RDKit |
| Boiling Point | 71-73 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 142.61 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7ClO2S.
