About bis(gold(1+));2-hydroxybutanebis(thioate)
bis(gold(1+));2-hydroxybutanebis(thioate) (PubChem CID 87647510) has the molecular formula C4H4Au2O3S2
and a molecular weight of 558.14 g/mol. Its IUPAC name is bis(gold(1+));2-hydroxybutanebis(thioate).
Molecular Properties
| Compound Name | bis(gold(1+));2-hydroxybutanebis(thioate) |
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| PubChem CID | 87647510 |
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| Molecular Formula | C4H4Au2O3S2 |
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| Molecular Weight | 558.14 g/mol |
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| Exact Mass | 557.89 |
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| IUPAC Name | bis(gold(1+));2-hydroxybutanebis(thioate) |
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| SMILES | O=C([S-])CC(O)C(=O)[S-].[Au+].[Au+] |
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| InChI | InChI=1S/C4H6O3S2.2Au/c5-2(4(7)9)1-3(6)8;;/h2,5H,1H2,(H,6,8)(H,7,9);;/q;2*+1/p-2 |
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| InChIKey | XXODYRDYNMXUDZ-UHFFFAOYSA-L |
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| XLogP | -1.12 |
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| TPSA | 54.37 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 558.14 |
| LogP ≤ 5 | -1.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(gold(1+));2-hydroxybutanebis(thioate)?
The IUPAC name of bis(gold(1+));2-hydroxybutanebis(thioate) (CID 87647510) is bis(gold(1+));2-hydroxybutanebis(thioate).
What is the SMILES notation for bis(gold(1+));2-hydroxybutanebis(thioate)?
The canonical SMILES for bis(gold(1+));2-hydroxybutanebis(thioate) is O=C([S-])CC(O)C(=O)[S-].[Au+].[Au+].
What is the InChIKey of bis(gold(1+));2-hydroxybutanebis(thioate)?
The InChIKey is XXODYRDYNMXUDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O3S2.2Au/c5-2(4(7)9)1-3(6)8;;/h2,5H,1H2,(H,6,8)(H,7,9);;/q;2*+1/p-2.
What are the key properties of bis(gold(1+));2-hydroxybutanebis(thioate)?
bis(gold(1+));2-hydroxybutanebis(thioate) has a molecular weight of 558.14 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(gold(1+));2-hydroxybutanebis(thioate) is sourced from PubChem (CID 87647510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).