About magnesium benzenesulfinate
magnesium benzenesulfinate (PubChem CID 68530435) has the molecular formula C12H10MgO4S2
and a molecular weight of 306.65 g/mol. Its IUPAC name is magnesium benzenesulfinate.
Molecular Properties
| Compound Name | magnesium benzenesulfinate |
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| PubChem CID | 68530435 |
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| Molecular Formula | C12H10MgO4S2 |
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| Molecular Weight | 306.65 g/mol |
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| Exact Mass | 305.99 |
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| IUPAC Name | magnesium benzenesulfinate |
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| SMILES | O=S([O-])c1ccccc1.O=S([O-])c1ccccc1.[Mg+2] |
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| InChI | InChI=1S/2C6H6O2S.Mg/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);/q;;+2/p-2 |
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| InChIKey | MUZDAAUUCSJIRK-UHFFFAOYSA-L |
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| XLogP | 1.47 |
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| TPSA | 80.26 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 306.65 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of magnesium benzenesulfinate?
The IUPAC name of magnesium benzenesulfinate (CID 68530435) is magnesium benzenesulfinate.
What is the SMILES notation for magnesium benzenesulfinate?
The canonical SMILES for magnesium benzenesulfinate is O=S([O-])c1ccccc1.O=S([O-])c1ccccc1.[Mg+2].
What is the InChIKey of magnesium benzenesulfinate?
The InChIKey is MUZDAAUUCSJIRK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O2S.Mg/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);/q;;+2/p-2.
What are the key properties of magnesium benzenesulfinate?
magnesium benzenesulfinate has a molecular weight of 306.65 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium benzenesulfinate is sourced from PubChem (CID 68530435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).