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Molecule
10-Camphorsulfonyl Chloride
CAS: 21286-54-4 · C10H15ClO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21286-54-4
- Molecular Formula
- C10H15ClO3S
- Molecular Mass
- 250.75 g/mol
Identifiers
CAS Registry Number
21286-54-4
SMILES
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C(=O)C2
InChI Key
BGABKEVTHIJBIW-GMSGAONNSA-N
InChI
InChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3/t7-,10-/m1/s1
Names and Synonyms
- 10-Camphorsulfonyl Chloride Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonyl chloride, 7,7-dimethyl-2-oxo-, (1S,4R)- Synonym
- 10-Bornanesulfonyl chloride, 2-oxo-, (+)- Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonyl chloride, 7,7-dimethyl-2-oxo-, (1S)- Synonym
- 10-Camphorsulfonyl chloride Synonym
- (1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonyl chloride Synonym
- d-Camphorsulfonyl chloride Synonym
- (+)-Camphorsulfonyl chloride Synonym
- (+)-10-Camphorsulfonyl chloride Synonym
- d-10-Camphorsulfonyl chloride Synonym
- (1S)-Camphor-10-sulfonyl chloride Synonym
- (1S)-(+)-Camphorsulfonyl chloride Synonym
- (1S)-(+)-10-Camphorsulfonyl chloride Synonym
- (1S)-10-Camphorsulfonyl chloride Synonym
- (1S)-1-[(Chlorosulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one Synonym
- (S)-(+)-10-Camphorsulfonyl chloride Synonym
- (+)-10-Camphorsulfonic acid chloride Synonym
- (S)-Camphor-10-sulfonyl chloride Synonym
- (S)-(+)-Camphorsulfonyl chloride Synonym
- ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride Synonym
- d-Camphorsulfonyl chloride Synonym
- D-(+)-10-Camphorsulfonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.75 g/mol | CAS Common Chemistry |
| 250.74699999999999 g/mol | RDKit | |
| 250.747 g/mol | RDKit | |
| 250.737 g/mol | chempirical lib | |
| Canonical SMILES | O=C1CC2CCC1(CS(=O)(=O)Cl)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15ClO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3/t7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BGABKEVTHIJBIW-GMSGAONNSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 10-Camphorsulfonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.21 Ų | RDKit |
| LogP | 1.9504 | RDKit |
| Molar Refractivity | 58.201800000000034 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 250.04304302 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 250.75 g/mol. Edit any field — others recompute live.
