1-(4-methylthiophen-3-yl)ethanone

C7H8OS — CID 23434142

IUPAC1-(4-methylthiophen-3-yl)ethanone
SMILESCC(=O)c1cscc1C
InChIInChI=1S/C7H8OS/c1-5-3-9-4-7(5)6(2)8/h3-4H,1-2H3
InChIKeyMWJUEDMZAKLZPT-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.26
Rot. Bonds1

About 1-(4-methylthiophen-3-yl)ethanone

1-(4-methylthiophen-3-yl)ethanone (PubChem CID 23434142) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)ethanone
PubChem CID23434142
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name1-(4-methylthiophen-3-yl)ethanone
SMILESCC(=O)c1cscc1C
InChIInChI=1S/C7H8OS/c1-5-3-9-4-7(5)6(2)8/h3-4H,1-2H3
InChIKeyMWJUEDMZAKLZPT-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)ethanone?
The IUPAC name of 1-(4-methylthiophen-3-yl)ethanone (CID 23434142) is 1-(4-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(4-methylthiophen-3-yl)ethanone is CC(=O)c1cscc1C.
What is the InChIKey of 1-(4-methylthiophen-3-yl)ethanone?
The InChIKey is MWJUEDMZAKLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-5-3-9-4-7(5)6(2)8/h3-4H,1-2H3.
What are the key properties of 1-(4-methylthiophen-3-yl)ethanone?
1-(4-methylthiophen-3-yl)ethanone has a molecular weight of 140.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 23434142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).