About cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate
cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate (PubChem CID 3066996) has the molecular formula C8H16CoHgN8S4
and a molecular weight of 612.06 g/mol. Its IUPAC name is cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate.
Molecular Properties
| Compound Name | cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate |
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| PubChem CID | 3066996 |
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| Molecular Formula | C8H16CoHgN8S4 |
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| Molecular Weight | 612.06 g/mol |
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| Exact Mass | 612.94 |
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| IUPAC Name | cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate |
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| SMILES | N#C[S-].N#C[S-].N#C[S-].N#C[S-].NCCN.NCCN.[Co+2].[Hg+2] |
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| InChI | InChI=1S/2C2H8N2.4CHNS.Co.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 | UMXLUQOARRCWKQ-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 |
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| MW ≤ 500 | 612.06 |
| 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 cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate?
The IUPAC name of cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate (CID 3066996) is cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate.
What is the SMILES notation for cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate?
The canonical SMILES for cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate is N#C[S-].N#C[S-].N#C[S-].N#C[S-].NCCN.NCCN.[Co+2].[Hg+2].
What is the InChIKey of cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate?
The InChIKey is UMXLUQOARRCWKQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H8N2.4CHNS.Co.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 cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate?
cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate has a molecular weight of 612.06 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 cobalt(2+);bis(ethane-1,2-diamine);mercury(2+);tetrathiocyanate is sourced from PubChem (CID 3066996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).