About Butane-1-thiol--plumbane (1/1)
Butane-1-thiol--plumbane (1/1) (PubChem CID 54603314) has the molecular formula C4H10PbS
and a molecular weight of 297.39 g/mol.
Molecular Properties
| Compound Name | Butane-1-thiol--plumbane (1/1) |
|---|
| PubChem CID | 54603314 |
|---|
| Molecular Formula | C4H10PbS |
|---|
| Molecular Weight | 297.39 g/mol |
|---|
| Exact Mass | 298.03 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CCCCS.[Pb] |
|---|
| InChI | InChI=1S/C4H10S.Pb/c1-2-3-4-5;/h5H,2-4H2,1H3; |
|---|
| InChIKey | JRUSLIGVPVBLGU-UHFFFAOYSA-N |
|---|
| XLogP | 1.34 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 297.39 |
| LogP ≤ 5 | 1.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze Butane-1-thiol--plumbane (1/1) with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of Butane-1-thiol--plumbane (1/1)?
The IUPAC name of Butane-1-thiol--plumbane (1/1) (CID 54603314) is not available.
What is the SMILES notation for Butane-1-thiol--plumbane (1/1)?
The canonical SMILES for Butane-1-thiol--plumbane (1/1) is CCCCS.[Pb].
What is the InChIKey of Butane-1-thiol--plumbane (1/1)?
The InChIKey is JRUSLIGVPVBLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.Pb/c1-2-3-4-5;/h5H,2-4H2,1H3;.
What are the key properties of Butane-1-thiol--plumbane (1/1)?
Butane-1-thiol--plumbane (1/1) has a molecular weight of 297.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Butane-1-thiol--plumbane (1/1) is sourced from PubChem (CID 54603314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).