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| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | H2O4S | — | pubchem |
| Molecular weight | 98.08 | g/mol | chembl |
| 98.08 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| Boiling point | 554 °F at 760 mmHg (EPA, 1998) | — | pubchem |
| Density | 1.841 (EPA, 1998) - Denser than water; will sink | — | pubchem |
| Melting point | 50.65 °F (EPA, 1998) | — | pubchem |
| Vapor pressure | 1 mmHg at 294.8 °F (EPA, 1998) | — | pubchem |
| Water solubility | Miscible (NIOSH, 2024) | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | -0.65 | — | chembl |
| XLogP | -1.4 | — | pubchem |
| MolLogP (Crippen) | -0.653 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 2 | — | chembl |
| 4 | — | pubchem | |
| H-bond donors | 2 | — | chembl |
| 2 | — | pubchem | |
| Lipinski violations | 0 | — | chembl |
| 0 | — | rdkit | |
| Passes rule of 3 | N | — | chembl |
| Rotatable bonds | 0 | — | chembl |
| 0 | — | pubchem | |
| Polar surface area (TPSA) | 74.60 | Ų | chembl |
| 83 | Ų | pubchem | |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.395 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 81 | — | pubchem |
| Heavy atom count | 5 | — | pubchem |
| Molar refractivity | 14.18 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 29.01 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 0 | — | rdkit |
| Heteroatoms | 5 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Maximum clinical phase | -1.0 | — | chembl |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Hidrocarburo | — | rdkit |