About bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate
bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate (PubChem CID 3066998) has the molecular formula C8H16FeHgN8S4
and a molecular weight of 608.97 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate.
Molecular Properties
| Compound Name | bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate |
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| PubChem CID | 3066998 |
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| Molecular Formula | C8H16FeHgN8S4 |
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| Molecular Weight | 608.97 g/mol |
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| Exact Mass | 609.94 |
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| IUPAC Name | bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate |
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| SMILES | N#C[S-].N#C[S-].N#C[S-].N#C[S-].NCCN.NCCN.[Fe+2].[Hg+2] |
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| InChI | InChI=1S/2C2H8N2.4CHNS.Fe.Hg/c2*3-1-2-4;4*2-1-3;;/h2*1-4H2;4*3H;;/q;;;;;;2*+2/p-4 |
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| InChIKey | RQQPPLIHFSWIEP-UHFFFAOYSA-J |
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| XLogP | -2.14 |
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| TPSA | 199.24 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 22 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 608.97 |
| LogP ≤ 5 | -2.14 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate?
The IUPAC name of bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate (CID 3066998) is bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate.
What is the SMILES notation for bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate?
The canonical SMILES for bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate is N#C[S-].N#C[S-].N#C[S-].N#C[S-].NCCN.NCCN.[Fe+2].[Hg+2].
What is the InChIKey of bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate?
The InChIKey is RQQPPLIHFSWIEP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H8N2.4CHNS.Fe.Hg/c2*3-1-2-4;4*2-1-3;;/h2*1-4H2;4*3H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate?
bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate has a molecular weight of 608.97 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);iron(2+);mercury(2+);tetrathiocyanate is sourced from PubChem (CID 3066998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).