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Molecule
Zinc Benzenesulfinate
CAS: 24308-84-7 · C6H6O2SZn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24308-84-7
- Molecular Formula
- C6H6O2SZn
- Molecular Mass
- 207.57 g/mol
Identifiers
CAS Registry Number
24308-84-7
SMILES
O=S(O)c1ccccc1.[Zn]
InChI Key
SBNJCTOWXFYVMM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2S.Zn/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8);
Names and Synonyms
- Zinc Benzenesulfinate Synonym
- Benzenesulfinic acid, zinc salt (2:1) Synonym
- Benzenesulfinic acid, zinc salt Synonym
- Zinc bis(benzenesulfinate) Synonym
- Zinc benzenesulfinate Synonym
- Unicell BM Synonym
- ZBS Synonym
- Accelerator ZBS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.57 g/mol | CAS Common Chemistry |
| 207.56899999999996 g/mol | RDKit | |
| 207.569 g/mol | RDKit | |
| 209.568 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].O=S(O)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O2S.Zn/c7-9(8)6-4-2-1-3-5-6;/h1-5H,(H,7,8); | CAS Common Chemistry |
| InChI Key | InChIKey=SBNJCTOWXFYVMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zinc benzenesulfinate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.2647 | RDKit |
| Molar Refractivity | 35.47920000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 205.937992632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 207.57 g/mol. Edit any field — others recompute live.
