About zinc bis(N,N-dimethylcarbamodithioate)
zinc bis(N,N-dimethylcarbamodithioate) (PubChem CID 8722) has the molecular formula C6H12N2S4Zn
and a molecular weight of 305.83 g/mol. Its IUPAC name is zinc bis(N,N-dimethylcarbamodithioate).
Molecular Properties
| Compound Name | zinc bis(N,N-dimethylcarbamodithioate) |
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| PubChem CID | 8722 |
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| Molecular Formula | C6H12N2S4Zn |
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| Molecular Weight | 305.83 g/mol |
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| Exact Mass | 303.92 |
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| IUPAC Name | zinc bis(N,N-dimethylcarbamodithioate) |
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| SMILES | CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2] |
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| InChI | InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2 |
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| InChIKey | DUBNHZYBDBBJHD-UHFFFAOYSA-L |
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| XLogP | 0.76 |
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| TPSA | 6.48 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 | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 305.83 |
| LogP ≤ 5 | 0.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of zinc bis(N,N-dimethylcarbamodithioate)?
The IUPAC name of zinc bis(N,N-dimethylcarbamodithioate) (CID 8722) is zinc bis(N,N-dimethylcarbamodithioate).
What is the SMILES notation for zinc bis(N,N-dimethylcarbamodithioate)?
The canonical SMILES for zinc bis(N,N-dimethylcarbamodithioate) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2].
What is the InChIKey of zinc bis(N,N-dimethylcarbamodithioate)?
The InChIKey is DUBNHZYBDBBJHD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of zinc bis(N,N-dimethylcarbamodithioate)?
zinc bis(N,N-dimethylcarbamodithioate) has a molecular weight of 305.83 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N,N-dimethylcarbamodithioate) is sourced from PubChem (CID 8722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).