About sodium 2-methylpropane-2-sulfinate
sodium 2-methylpropane-2-sulfinate (PubChem CID 23685749) has the molecular formula C4H9NaO2S
and a molecular weight of 144.17 g/mol. Its IUPAC name is sodium 2-methylpropane-2-sulfinate.
Molecular Properties
| Compound Name | sodium 2-methylpropane-2-sulfinate |
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| PubChem CID | 23685749 |
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| Molecular Formula | C4H9NaO2S |
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| Molecular Weight | 144.17 g/mol |
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| Exact Mass | 144.02 |
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| IUPAC Name | sodium 2-methylpropane-2-sulfinate |
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| SMILES | CC(C)(C)S(=O)[O-].[Na+] |
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| InChI | InChI=1S/C4H10O2S.Na/c1-4(2,3)7(5)6;/h1-3H3,(H,5,6);/q;+1/p-1 |
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| InChIKey | VOHJOJMSAGPWBW-UHFFFAOYSA-M |
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| XLogP | -2.33 |
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| TPSA | 40.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 144.17 |
| LogP ≤ 5 | -2.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 sodium 2-methylpropane-2-sulfinate?
The IUPAC name of sodium 2-methylpropane-2-sulfinate (CID 23685749) is sodium 2-methylpropane-2-sulfinate.
What is the SMILES notation for sodium 2-methylpropane-2-sulfinate?
The canonical SMILES for sodium 2-methylpropane-2-sulfinate is CC(C)(C)S(=O)[O-].[Na+].
What is the InChIKey of sodium 2-methylpropane-2-sulfinate?
The InChIKey is VOHJOJMSAGPWBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2S.Na/c1-4(2,3)7(5)6;/h1-3H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium 2-methylpropane-2-sulfinate?
sodium 2-methylpropane-2-sulfinate has a molecular weight of 144.17 g/mol, XLogP of -2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylpropane-2-sulfinate is sourced from PubChem (CID 23685749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).