About methane;sulfane
methane;sulfane (PubChem CID 160584832) has the molecular formula C53H214S
and a molecular weight of 884.36 g/mol. Its IUPAC name is methane;sulfane.
Molecular Properties
| Compound Name | methane;sulfane |
|---|
| PubChem CID | 160584832 |
|---|
| Molecular Formula | C53H214S |
|---|
| Molecular Weight | 884.36 g/mol |
|---|
| Exact Mass | 883.65 |
|---|
| IUPAC Name | methane;sulfane |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S |
|---|
| InChI | InChI=1S/53CH4.H2S/h53*1H4;1H2 |
|---|
| InChIKey | RCGKHFDYRKPCFX-UHFFFAOYSA-N |
|---|
| XLogP | 33.83 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 54 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 884.36 |
| LogP ≤ 5 | 33.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze methane;sulfane 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 methane;sulfane?
The IUPAC name of methane;sulfane (CID 160584832) is methane;sulfane.
What is the SMILES notation for methane;sulfane?
The canonical SMILES for methane;sulfane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.
What is the InChIKey of methane;sulfane?
The InChIKey is RCGKHFDYRKPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/53CH4.H2S/h53*1H4;1H2.
What are the key properties of methane;sulfane?
methane;sulfane has a molecular weight of 884.36 g/mol, XLogP of 33.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfane is sourced from PubChem (CID 160584832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).