About methanesulfonate
methanesulfonate (PubChem CID 91604416) has the molecular formula C2H6O6S2-2
and a molecular weight of 190.20 g/mol. Its IUPAC name is methanesulfonate.
Molecular Properties
| Compound Name | methanesulfonate |
|---|
| PubChem CID | 91604416 |
|---|
| Molecular Formula | C2H6O6S2-2 |
|---|
| Molecular Weight | 190.20 g/mol |
|---|
| Exact Mass | 189.96 |
|---|
| IUPAC Name | methanesulfonate |
|---|
| SMILES | CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
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| InChI | InChI=1S/2CH4O3S/c2*1-5(2,3)4/h2*1H3,(H,2,3,4)/p-2 |
|---|
| InChIKey | GXHMMDRXHUIUMN-UHFFFAOYSA-L |
|---|
| XLogP | -1.68 |
|---|
| TPSA | 114.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 190.20 |
| LogP ≤ 5 | -1.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of methanesulfonate?
The IUPAC name of methanesulfonate (CID 91604416) is methanesulfonate.
What is the SMILES notation for methanesulfonate?
The canonical SMILES for methanesulfonate is CS(=O)(=O)[O-].CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate?
The InChIKey is GXHMMDRXHUIUMN-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O3S/c2*1-5(2,3)4/h2*1H3,(H,2,3,4)/p-2.
What are the key properties of methanesulfonate?
methanesulfonate has a molecular weight of 190.20 g/mol, XLogP of -1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate is sourced from PubChem (CID 91604416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).