About tritiophosphanylformaldehyde
tritiophosphanylformaldehyde (PubChem CID 58788744) has the molecular formula CH3OP
and a molecular weight of 64.02 g/mol. Its IUPAC name is tritiophosphanylformaldehyde.
Molecular Properties
| Compound Name | tritiophosphanylformaldehyde |
| PubChem CID | 58788744 |
| Molecular Formula | CH3OP |
| Molecular Weight | 64.02 g/mol |
| Exact Mass | 64.00 |
| IUPAC Name | tritiophosphanylformaldehyde |
| SMILES | [3H]PC=O |
| InChI | InChI=1S/CH3OP/c2-1-3/h1H,3H2/i3T |
| InChIKey | WHPGTGCDKMKRNH-WJULDGBESA-N |
| XLogP | 0.05 |
| TPSA | 17.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 3 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 64.02 |
| LogP ≤ 5 | 0.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tritiophosphanylformaldehyde?
The IUPAC name of tritiophosphanylformaldehyde (CID 58788744) is tritiophosphanylformaldehyde.
What is the SMILES notation for tritiophosphanylformaldehyde?
The canonical SMILES for tritiophosphanylformaldehyde is [3H]PC=O.
What is the InChIKey of tritiophosphanylformaldehyde?
The InChIKey is WHPGTGCDKMKRNH-WJULDGBESA-N. The full InChI is InChI=1S/CH3OP/c2-1-3/h1H,3H2/i3T.
What are the key properties of tritiophosphanylformaldehyde?
tritiophosphanylformaldehyde has a molecular weight of 64.02 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tritiophosphanylformaldehyde is sourced from PubChem (CID 58788744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).