1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone

C14H14O2S — CID 104651891

IUPAC1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2cc(C)ccc2C)o1
InChIInChI=1S/C14H14O2S/c1-9-4-5-10(2)13(8-9)17-14-7-6-12(16-14)11(3)15/h4-8H,1-3H3
InChIKeyIFEULSHCWBXGFE-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.25
Rot. Bonds3

About 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone

1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone (PubChem CID 104651891) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone
PubChem CID104651891
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2cc(C)ccc2C)o1
InChIInChI=1S/C14H14O2S/c1-9-4-5-10(2)13(8-9)17-14-7-6-12(16-14)11(3)15/h4-8H,1-3H3
InChIKeyIFEULSHCWBXGFE-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-methylpyrimidin-2-yl)sulfanylfuran-2-yl]ethanone
CID 104651919
1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]ethanone
CID 104651931
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966
2-(5-acetylfuran-2-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136907981
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)furan-2-yl]ethanone
CID 113437432
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
(2R)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylsulfanylfuran-2-yl)-3-oxopropanamide
CID 98169079
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651883
1-[5-(3-methylbutylsulfanyl)furan-2-yl]ethanone
CID 107750503
5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[(5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]furan-2-carboxamide
CID 58696921
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone?
The IUPAC name of 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone (CID 104651891) is 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone is CC(=O)c1ccc(Sc2cc(C)ccc2C)o1.
What is the InChIKey of 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone?
The InChIKey is IFEULSHCWBXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-4-5-10(2)13(8-9)17-14-7-6-12(16-14)11(3)15/h4-8H,1-3H3.
What are the key properties of 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone?
1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone has a molecular weight of 246.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone is sourced from PubChem (CID 104651891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).