1-(4-methylsulfanylfuran-2-yl)ethanone

C7H8O2S — CID 130028210

IUPAC1-(4-methylsulfanylfuran-2-yl)ethanone
SMILESCSc1coc(C(C)=O)c1
InChIInChI=1S/C7H8O2S/c1-5(8)7-3-6(10-2)4-9-7/h3-4H,1-2H3
InChIKeyXCAIVBLBZSXJJQ-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-methylsulfanylfuran-2-yl)ethanone

1-(4-methylsulfanylfuran-2-yl)ethanone (PubChem CID 130028210) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(4-methylsulfanylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfanylfuran-2-yl)ethanone
PubChem CID130028210
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name1-(4-methylsulfanylfuran-2-yl)ethanone
SMILESCSc1coc(C(C)=O)c1
InChIInChI=1S/C7H8O2S/c1-5(8)7-3-6(10-2)4-9-7/h3-4H,1-2H3
InChIKeyXCAIVBLBZSXJJQ-UHFFFAOYSA-N
XLogP2.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylfuran-2-yl)ethanone?
The IUPAC name of 1-(4-methylsulfanylfuran-2-yl)ethanone (CID 130028210) is 1-(4-methylsulfanylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfanylfuran-2-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfanylfuran-2-yl)ethanone is CSc1coc(C(C)=O)c1.
What is the InChIKey of 1-(4-methylsulfanylfuran-2-yl)ethanone?
The InChIKey is XCAIVBLBZSXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5(8)7-3-6(10-2)4-9-7/h3-4H,1-2H3.
What are the key properties of 1-(4-methylsulfanylfuran-2-yl)ethanone?
1-(4-methylsulfanylfuran-2-yl)ethanone has a molecular weight of 156.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylfuran-2-yl)ethanone is sourced from PubChem (CID 130028210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).