About tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid
tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid (PubChem CID 173048630) has the molecular formula H6Mo3O23P4S11
and a molecular weight of 1138.48 g/mol. Its IUPAC name is tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid.
Molecular Properties
| Compound Name | tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid |
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| PubChem CID | 173048630 |
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| Molecular Formula | H6Mo3O23P4S11 |
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| Molecular Weight | 1138.48 g/mol |
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| Exact Mass | 1143.23 |
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| IUPAC Name | tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid |
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| SMILES | O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=[Mo+4].O=[Mo+4].O=[Mo+4].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-] |
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| InChI | InChI=1S/3Mo.3H2O4S.4H3O2PS2.3O/c;;;3*1-5(2,3)4;4*1-3(2,4)5;;;/h;;;3*(H2,1,2,3,4);4*(H3,1,2,4,5);;;/q3*+4;;;;;;;;;;/p-12 |
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| InChIKey | PHPXBWQIPZYPQY-UHFFFAOYSA-B |
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| XLogP | -8.41 |
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| TPSA | 459.49 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 25 |
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| Rotatable Bonds | |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1138.48 |
| LogP ≤ 5 | -8.41 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid?
The IUPAC name of tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid (CID 173048630) is tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid.
What is the SMILES notation for tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid?
The canonical SMILES for tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid is O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=[Mo+4].O=[Mo+4].O=[Mo+4].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-].[O-]P([O-])(=S)[S-].
What is the InChIKey of tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid?
The InChIKey is PHPXBWQIPZYPQY-UHFFFAOYSA-B. The full InChI is InChI=1S/3Mo.3H2O4S.4H3O2PS2.3O/c;;;3*1-5(2,3)4;4*1-3(2,4)5;;;/h;;;3*(H2,1,2,3,4);4*(H3,1,2,4,5);;;/q3*+4;;;;;;;;;;/p-12.
What are the key properties of tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid?
tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid has a molecular weight of 1138.48 g/mol, XLogP of -8.41, 0 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dioxido-sulfanylidene-sulfido-λ5-phosphane);tris(oxomolybdenum(4+));sulfuric acid is sourced from PubChem (CID 173048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).