About 9-methyl-1,5-dithiaspiro[5.5]undecane
9-methyl-1,5-dithiaspiro[5.5]undecane (PubChem CID 608738) has the molecular formula C10H18S2
and a molecular weight of 202.39 g/mol. Its IUPAC name is 9-methyl-1,5-dithiaspiro[5.5]undecane.
Molecular Properties
| Compound Name | 9-methyl-1,5-dithiaspiro[5.5]undecane |
|---|
| PubChem CID | 608738 |
|---|
| Molecular Formula | C10H18S2 |
|---|
| Molecular Weight | 202.39 g/mol |
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| Exact Mass | 202.08 |
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| IUPAC Name | 9-methyl-1,5-dithiaspiro[5.5]undecane |
|---|
| SMILES | CC1CCC2(CC1)SCCCS2 |
|---|
| InChI | InChI=1S/C10H18S2/c1-9-3-5-10(6-4-9)11-7-2-8-12-10/h9H,2-8H2,1H3 |
|---|
| InChIKey | FXQCTCUYVYWXCI-UHFFFAOYSA-N |
|---|
| XLogP | 3.76 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.39 |
| LogP ≤ 5 | 3.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 9-methyl-1,5-dithiaspiro[5.5]undecane?
The IUPAC name of 9-methyl-1,5-dithiaspiro[5.5]undecane (CID 608738) is 9-methyl-1,5-dithiaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-1,5-dithiaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-1,5-dithiaspiro[5.5]undecane is CC1CCC2(CC1)SCCCS2.
What is the InChIKey of 9-methyl-1,5-dithiaspiro[5.5]undecane?
The InChIKey is FXQCTCUYVYWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-9-3-5-10(6-4-9)11-7-2-8-12-10/h9H,2-8H2,1H3.
What are the key properties of 9-methyl-1,5-dithiaspiro[5.5]undecane?
9-methyl-1,5-dithiaspiro[5.5]undecane has a molecular weight of 202.39 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,5-dithiaspiro[5.5]undecane is sourced from PubChem (CID 608738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).