1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone

C11H14O3S — CID 106494662

IUPAC1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(SCC2CCCO2)o1
InChIInChI=1S/C11H14O3S/c1-8(12)10-4-5-11(14-10)15-7-9-3-2-6-13-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXFLXFBCDDSNDOM-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.75
Rot. Bonds4

About 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone

1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone (PubChem CID 106494662) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone
PubChem CID106494662
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(SCC2CCCO2)o1
InChIInChI=1S/C11H14O3S/c1-8(12)10-4-5-11(14-10)15-7-9-3-2-6-13-9/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXFLXFBCDDSNDOM-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanone
CID 106494659
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
CID 106495067
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide
CID 106495136
1-[5-(3-methylbutylsulfanyl)furan-2-yl]ethanone
CID 107750503
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
1-[4-hydroxy-3-(oxolan-2-ylmethylsulfanylmethyl)phenyl]ethanone
CID 106495061
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
2-chloro-6-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495918
1-[4-bromo-2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496624
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone (CID 106494662) is 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone is CC(=O)c1ccc(SCC2CCCO2)o1.
What is the InChIKey of 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone?
The InChIKey is XFLXFBCDDSNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-8(12)10-4-5-11(14-10)15-7-9-3-2-6-13-9/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone?
1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone has a molecular weight of 226.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]ethanone is sourced from PubChem (CID 106494662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).