About 4-methyl-2-phenylsulfanyl-2H-furan-5-one
4-methyl-2-phenylsulfanyl-2H-furan-5-one (PubChem CID 138970362) has the molecular formula C11H10O2S
and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-methyl-2-phenylsulfanyl-2H-furan-5-one.
Molecular Properties
| Compound Name | 4-methyl-2-phenylsulfanyl-2H-furan-5-one |
|---|
| PubChem CID | 138970362 |
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| Molecular Formula | C11H10O2S |
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| Molecular Weight | 206.27 g/mol |
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| Exact Mass | 206.04 |
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| IUPAC Name | 4-methyl-2-phenylsulfanyl-2H-furan-5-one |
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| SMILES | CC1=CC(Sc2ccccc2)OC1=O |
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| InChI | InChI=1S/C11H10O2S/c1-8-7-10(13-11(8)12)14-9-5-3-2-4-6-9/h2-7,10H,1H3 |
|---|
| InChIKey | LREPRDNOCOFOBZ-UHFFFAOYSA-N |
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| XLogP | 2.61 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 206.27 |
| LogP ≤ 5 | 2.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-2-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 4-methyl-2-phenylsulfanyl-2H-furan-5-one (CID 138970362) is 4-methyl-2-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-phenylsulfanyl-2H-furan-5-one is CC1=CC(Sc2ccccc2)OC1=O.
What is the InChIKey of 4-methyl-2-phenylsulfanyl-2H-furan-5-one?
The InChIKey is LREPRDNOCOFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-8-7-10(13-11(8)12)14-9-5-3-2-4-6-9/h2-7,10H,1H3.
What are the key properties of 4-methyl-2-phenylsulfanyl-2H-furan-5-one?
4-methyl-2-phenylsulfanyl-2H-furan-5-one has a molecular weight of 206.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 138970362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).