About heptasulfanyloxyethane
heptasulfanyloxyethane (PubChem CID 129305029) has the molecular formula C2H6OS7
and a molecular weight of 270.54 g/mol. Its IUPAC name is heptasulfanyloxyethane.
Molecular Properties
| Compound Name | heptasulfanyloxyethane |
|---|
| PubChem CID | 129305029 |
|---|
| Molecular Formula | C2H6OS7 |
|---|
| Molecular Weight | 270.54 g/mol |
|---|
| Exact Mass | 269.85 |
|---|
| IUPAC Name | heptasulfanyloxyethane |
|---|
| SMILES | CCOSSSSSSS |
|---|
| InChI | InChI=1S/C2H6OS7/c1-2-3-5-7-9-10-8-6-4/h4H,2H2,1H3 |
|---|
| InChIKey | YJNLDACJIJOTJU-UHFFFAOYSA-N |
|---|
| XLogP | 4.76 |
|---|
| TPSA | 9.23 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 270.54 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'} |
|---|
Analyze heptasulfanyloxyethane 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 heptasulfanyloxyethane?
The IUPAC name of heptasulfanyloxyethane (CID 129305029) is heptasulfanyloxyethane.
What is the SMILES notation for heptasulfanyloxyethane?
The canonical SMILES for heptasulfanyloxyethane is CCOSSSSSSS.
What is the InChIKey of heptasulfanyloxyethane?
The InChIKey is YJNLDACJIJOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS7/c1-2-3-5-7-9-10-8-6-4/h4H,2H2,1H3.
What are the key properties of heptasulfanyloxyethane?
heptasulfanyloxyethane has a molecular weight of 270.54 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for heptasulfanyloxyethane is sourced from PubChem (CID 129305029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).