About trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide
trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide (PubChem CID 102515532) has the molecular formula CH17Fe7MoS8-
and a molecular weight of 772.54 g/mol. Its IUPAC name is trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide.
Molecular Properties
| Compound Name | trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide |
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| PubChem CID | 102515532 |
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| Molecular Formula | CH17Fe7MoS8- |
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| Molecular Weight | 772.54 g/mol |
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| Exact Mass | 774.36 |
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| IUPAC Name | trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide |
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| SMILES | [CH3-].[Fe+2].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[SH-].[SH-].[SH-].[SH-].[SH-].[SH3+].[SH3+].[SH3+] |
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| InChI | InChI=1S/CH3.7Fe.Mo.8H2S/h1H3;;;;;;;;;8*1H2/q-1;;;;;;;+2;;;;;;;;;/p-2 |
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| InChIKey | FIYVRCSWUYPTCT-UHFFFAOYSA-L |
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| XLogP | -3.34 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 772.54 |
| LogP ≤ 5 | -3.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide?
The IUPAC name of trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide (CID 102515532) is trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide.
What is the SMILES notation for trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide?
The canonical SMILES for trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide is [CH3-].[Fe+2].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[SH-].[SH-].[SH-].[SH-].[SH-].[SH3+].[SH3+].[SH3+].
What is the InChIKey of trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide?
The InChIKey is FIYVRCSWUYPTCT-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3.7Fe.Mo.8H2S/h1H3;;;;;;;;;8*1H2/q-1;;;;;;;+2;;;;;;;;;/p-2.
What are the key properties of trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide?
trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide has a molecular weight of 772.54 g/mol, XLogP of -3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide is sourced from PubChem (CID 102515532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).