1-(5-methylsulfonylthiophen-2-yl)ethanone

C7H8O3S2 — CID 15657606

IUPAC1-(5-methylsulfonylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H8O3S2/c1-5(8)6-3-4-7(11-6)12(2,9)10/h3-4H,1-2H3
InChIKeyLUBYAQVZHFFTMH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.35
Rot. Bonds2

About 1-(5-methylsulfonylthiophen-2-yl)ethanone

1-(5-methylsulfonylthiophen-2-yl)ethanone (PubChem CID 15657606) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(5-methylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylsulfonylthiophen-2-yl)ethanone
PubChem CID15657606
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Name1-(5-methylsulfonylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H8O3S2/c1-5(8)6-3-4-7(11-6)12(2,9)10/h3-4H,1-2H3
InChIKeyLUBYAQVZHFFTMH-UHFFFAOYSA-N
XLogP1.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-methylsulfonylthiophen-2-yl)ethanone (CID 15657606) is 1-(5-methylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-methylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-methylsulfonylthiophen-2-yl)ethanone is CC(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of 1-(5-methylsulfonylthiophen-2-yl)ethanone?
The InChIKey is LUBYAQVZHFFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c1-5(8)6-3-4-7(11-6)12(2,9)10/h3-4H,1-2H3.
What are the key properties of 1-(5-methylsulfonylthiophen-2-yl)ethanone?
1-(5-methylsulfonylthiophen-2-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 15657606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).