About dithiadiazete 1,1,2,2-tetraoxide
dithiadiazete 1,1,2,2-tetraoxide (PubChem CID 175013688) has the molecular formula N2O4S2
and a molecular weight of 156.14 g/mol. Its IUPAC name is dithiadiazete 1,1,2,2-tetraoxide.
Molecular Properties
| Compound Name | dithiadiazete 1,1,2,2-tetraoxide |
|---|
| PubChem CID | 175013688 |
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| Molecular Formula | N2O4S2 |
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| Molecular Weight | 156.14 g/mol |
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| Exact Mass | 155.93 |
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| IUPAC Name | dithiadiazete 1,1,2,2-tetraoxide |
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| SMILES | O=S1(=O)N=NS1(=O)=O |
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| InChI | InChI=1S/N2O4S2/c3-7(4)1-2-8(7,5)6 |
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| InChIKey | NVMHNVTVCCNIIS-UHFFFAOYSA-N |
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| XLogP | -0.97 |
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| TPSA | 93.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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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 |
|---|
| MW ≤ 500 | 156.14 |
| LogP ≤ 5 | -0.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'disulphide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dithiadiazete 1,1,2,2-tetraoxide?
The IUPAC name of dithiadiazete 1,1,2,2-tetraoxide (CID 175013688) is dithiadiazete 1,1,2,2-tetraoxide.
What is the SMILES notation for dithiadiazete 1,1,2,2-tetraoxide?
The canonical SMILES for dithiadiazete 1,1,2,2-tetraoxide is O=S1(=O)N=NS1(=O)=O.
What is the InChIKey of dithiadiazete 1,1,2,2-tetraoxide?
The InChIKey is NVMHNVTVCCNIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O4S2/c3-7(4)1-2-8(7,5)6.
What are the key properties of dithiadiazete 1,1,2,2-tetraoxide?
dithiadiazete 1,1,2,2-tetraoxide has a molecular weight of 156.14 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dithiadiazete 1,1,2,2-tetraoxide is sourced from PubChem (CID 175013688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).