About disulfoazaniumylideneazanide
disulfoazaniumylideneazanide (PubChem CID 18446179) has the molecular formula H2N2O6S2
and a molecular weight of 190.16 g/mol. Its IUPAC name is disulfoazaniumylideneazanide.
Molecular Properties
| Compound Name | disulfoazaniumylideneazanide |
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| PubChem CID | 18446179 |
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| Molecular Formula | H2N2O6S2 |
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| Molecular Weight | 190.16 g/mol |
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| Exact Mass | 189.94 |
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| IUPAC Name | disulfoazaniumylideneazanide |
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| SMILES | [N-]=[N+](S(=O)(=O)O)S(=O)(=O)O |
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| InChI | InChI=1S/H2N2O6S2/c1-2(9(3,4)5)10(6,7)8/h(H,3,4,5)(H,6,7,8) |
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| InChIKey | GWZDSIJCTLAIAT-UHFFFAOYSA-N |
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| XLogP | -1.37 |
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| TPSA | 134.05 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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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 | 190.16 |
| LogP ≤ 5 | -1.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disulfoazaniumylideneazanide?
The IUPAC name of disulfoazaniumylideneazanide (CID 18446179) is disulfoazaniumylideneazanide.
What is the SMILES notation for disulfoazaniumylideneazanide?
The canonical SMILES for disulfoazaniumylideneazanide is [N-]=[N+](S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of disulfoazaniumylideneazanide?
The InChIKey is GWZDSIJCTLAIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O6S2/c1-2(9(3,4)5)10(6,7)8/h(H,3,4,5)(H,6,7,8).
What are the key properties of disulfoazaniumylideneazanide?
disulfoazaniumylideneazanide has a molecular weight of 190.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disulfoazaniumylideneazanide is sourced from PubChem (CID 18446179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).