About ethoxy thiohypochlorite
ethoxy thiohypochlorite (PubChem CID 130290395) has the molecular formula C2H5ClOS
and a molecular weight of 112.58 g/mol. Its IUPAC name is ethoxy thiohypochlorite.
Molecular Properties
| Compound Name | ethoxy thiohypochlorite |
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| PubChem CID | 130290395 |
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| Molecular Formula | C2H5ClOS |
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| Molecular Weight | 112.58 g/mol |
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| Exact Mass | 111.97 |
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| IUPAC Name | ethoxy thiohypochlorite |
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| SMILES | CCOSCl |
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| InChI | InChI=1S/C2H5ClOS/c1-2-4-5-3/h2H2,1H3 |
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| InChIKey | NQMLBAJQIHZAKY-UHFFFAOYSA-N |
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| XLogP | 1.82 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 112.58 |
| LogP ≤ 5 | 1.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethoxy thiohypochlorite?
The IUPAC name of ethoxy thiohypochlorite (CID 130290395) is ethoxy thiohypochlorite.
What is the SMILES notation for ethoxy thiohypochlorite?
The canonical SMILES for ethoxy thiohypochlorite is CCOSCl.
What is the InChIKey of ethoxy thiohypochlorite?
The InChIKey is NQMLBAJQIHZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClOS/c1-2-4-5-3/h2H2,1H3.
What are the key properties of ethoxy thiohypochlorite?
ethoxy thiohypochlorite has a molecular weight of 112.58 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy thiohypochlorite is sourced from PubChem (CID 130290395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).