About ethenylsulfanylmethanol
ethenylsulfanylmethanol (PubChem CID 71341626) has the molecular formula C3H6OS
and a molecular weight of 90.15 g/mol. Its IUPAC name is ethenylsulfanylmethanol.
Molecular Properties
| Compound Name | ethenylsulfanylmethanol |
|---|
| PubChem CID | 71341626 |
|---|
| Molecular Formula | C3H6OS |
|---|
| Molecular Weight | 90.15 g/mol |
|---|
| Exact Mass | 90.01 |
|---|
| IUPAC Name | ethenylsulfanylmethanol |
|---|
| SMILES | C=CSCO |
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| InChI | InChI=1S/C3H6OS/c1-2-5-3-4/h2,4H,1,3H2 |
|---|
| InChIKey | IAYBCQSJFIOHHQ-UHFFFAOYSA-N |
|---|
| XLogP | 0.81 |
|---|
| TPSA | 20.23 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
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| Heavy Atoms | 5 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 90.15 |
| LogP ≤ 5 | 0.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of ethenylsulfanylmethanol?
The IUPAC name of ethenylsulfanylmethanol (CID 71341626) is ethenylsulfanylmethanol.
What is the SMILES notation for ethenylsulfanylmethanol?
The canonical SMILES for ethenylsulfanylmethanol is C=CSCO.
What is the InChIKey of ethenylsulfanylmethanol?
The InChIKey is IAYBCQSJFIOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS/c1-2-5-3-4/h2,4H,1,3H2.
What are the key properties of ethenylsulfanylmethanol?
ethenylsulfanylmethanol has a molecular weight of 90.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfanylmethanol is sourced from PubChem (CID 71341626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).