About 2-methyl-4,5-dihydroimidazole-1-sulfinate
2-methyl-4,5-dihydroimidazole-1-sulfinate (PubChem CID 142943363) has the molecular formula C4H7N2O2S-
and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methyl-4,5-dihydroimidazole-1-sulfinate.
Molecular Properties
| Compound Name | 2-methyl-4,5-dihydroimidazole-1-sulfinate |
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| PubChem CID | 142943363 |
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| Molecular Formula | C4H7N2O2S- |
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| Molecular Weight | 147.18 g/mol |
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| Exact Mass | 147.02 |
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| IUPAC Name | 2-methyl-4,5-dihydroimidazole-1-sulfinate |
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| SMILES | CC1=NCCN1S(=O)[O-] |
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| InChI | InChI=1S/C4H8N2O2S/c1-4-5-2-3-6(4)9(7)8/h2-3H2,1H3,(H,7,8)/p-1 |
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| InChIKey | YAMYEWYXCIXCNE-UHFFFAOYSA-M |
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| XLogP | -0.49 |
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| TPSA | 55.73 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 9 |
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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 | 147.18 |
| LogP ≤ 5 | -0.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 2-methyl-4,5-dihydroimidazole-1-sulfinate?
The IUPAC name of 2-methyl-4,5-dihydroimidazole-1-sulfinate (CID 142943363) is 2-methyl-4,5-dihydroimidazole-1-sulfinate.
What is the SMILES notation for 2-methyl-4,5-dihydroimidazole-1-sulfinate?
The canonical SMILES for 2-methyl-4,5-dihydroimidazole-1-sulfinate is CC1=NCCN1S(=O)[O-].
What is the InChIKey of 2-methyl-4,5-dihydroimidazole-1-sulfinate?
The InChIKey is YAMYEWYXCIXCNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N2O2S/c1-4-5-2-3-6(4)9(7)8/h2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 2-methyl-4,5-dihydroimidazole-1-sulfinate?
2-methyl-4,5-dihydroimidazole-1-sulfinate has a molecular weight of 147.18 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydroimidazole-1-sulfinate is sourced from PubChem (CID 142943363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).