2-ethylsulfinyl-1-thiophen-2-ylethanone

C8H10O2S2 — CID 64639868

IUPAC2-ethylsulfinyl-1-thiophen-2-ylethanone
SMILESCCS(=O)CC(=O)c1cccs1
InChIInChI=1S/C8H10O2S2/c1-2-12(10)6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyGHQSASJFRVNTEF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.70
Rot. Bonds4

About 2-ethylsulfinyl-1-thiophen-2-ylethanone

2-ethylsulfinyl-1-thiophen-2-ylethanone (PubChem CID 64639868) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-ethylsulfinyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-ethylsulfinyl-1-thiophen-2-ylethanone
PubChem CID64639868
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Name2-ethylsulfinyl-1-thiophen-2-ylethanone
SMILESCCS(=O)CC(=O)c1cccs1
InChIInChI=1S/C8H10O2S2/c1-2-12(10)6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyGHQSASJFRVNTEF-UHFFFAOYSA-N
XLogP1.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
sodium thiophene-2-carboxylate
CID 23672340
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-ethylsulfinyl-1-thiophen-2-ylethanone (CID 64639868) is 2-ethylsulfinyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-ethylsulfinyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-ethylsulfinyl-1-thiophen-2-ylethanone is CCS(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-ethylsulfinyl-1-thiophen-2-ylethanone?
The InChIKey is GHQSASJFRVNTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-2-12(10)6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethylsulfinyl-1-thiophen-2-ylethanone?
2-ethylsulfinyl-1-thiophen-2-ylethanone has a molecular weight of 202.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 64639868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).