About 6-ethylsulfanylcyclohex-2-en-1-one
6-ethylsulfanylcyclohex-2-en-1-one (PubChem CID 89357219) has the molecular formula C8H12OS
and a molecular weight of 156.25 g/mol. Its IUPAC name is 6-ethylsulfanylcyclohex-2-en-1-one.
Molecular Properties
| Compound Name | 6-ethylsulfanylcyclohex-2-en-1-one |
|---|
| PubChem CID | 89357219 |
|---|
| Molecular Formula | C8H12OS |
|---|
| Molecular Weight | 156.25 g/mol |
|---|
| Exact Mass | 156.06 |
|---|
| IUPAC Name | 6-ethylsulfanylcyclohex-2-en-1-one |
|---|
| SMILES | CCSC1CCC=CC1=O |
|---|
| InChI | InChI=1S/C8H12OS/c1-2-10-8-6-4-3-5-7(8)9/h3,5,8H,2,4,6H2,1H3 |
|---|
| InChIKey | JPDZUYPCWLBVLG-UHFFFAOYSA-N |
|---|
| XLogP | 2.03 |
|---|
| TPSA | 17.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 156.25 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-ethylsulfanylcyclohex-2-en-1-one?
The IUPAC name of 6-ethylsulfanylcyclohex-2-en-1-one (CID 89357219) is 6-ethylsulfanylcyclohex-2-en-1-one.
What is the SMILES notation for 6-ethylsulfanylcyclohex-2-en-1-one?
The canonical SMILES for 6-ethylsulfanylcyclohex-2-en-1-one is CCSC1CCC=CC1=O.
What is the InChIKey of 6-ethylsulfanylcyclohex-2-en-1-one?
The InChIKey is JPDZUYPCWLBVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-10-8-6-4-3-5-7(8)9/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 6-ethylsulfanylcyclohex-2-en-1-one?
6-ethylsulfanylcyclohex-2-en-1-one has a molecular weight of 156.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanylcyclohex-2-en-1-one is sourced from PubChem (CID 89357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).