2-methylsulfonyl-1-thiophen-2-ylethanone

C7H8O3S2 — CID 4253076

IUPAC2-methylsulfonyl-1-thiophen-2-ylethanone
SMILESCS(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C7H8O3S2/c1-12(9,10)5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyJRRRKLUCOBIKHZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.98
Rot. Bonds3

About 2-methylsulfonyl-1-thiophen-2-ylethanone

2-methylsulfonyl-1-thiophen-2-ylethanone (PubChem CID 4253076) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methylsulfonyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-thiophen-2-ylethanone
PubChem CID4253076
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Name2-methylsulfonyl-1-thiophen-2-ylethanone
SMILESCS(=O)(=O)CC(=O)c1cccs1
InChIInChI=1S/C7H8O3S2/c1-12(9,10)5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyJRRRKLUCOBIKHZ-UHFFFAOYSA-N
XLogP0.98
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
CID 82180145
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone
CID 107764008
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-methylsulfonyl-1-thiophen-2-ylethanone (CID 4253076) is 2-methylsulfonyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-methylsulfonyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-methylsulfonyl-1-thiophen-2-ylethanone is CS(=O)(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-methylsulfonyl-1-thiophen-2-ylethanone?
The InChIKey is JRRRKLUCOBIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c1-12(9,10)5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3.
What are the key properties of 2-methylsulfonyl-1-thiophen-2-ylethanone?
2-methylsulfonyl-1-thiophen-2-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 4253076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).