1-(5-thiophen-2-ylthiophen-2-yl)ethanone

C10H8OS2 — CID 606422

IUPAC1-(5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3
InChIKeyGKGAOTYPISAEEK-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.68
Rot. Bonds2

About 1-(5-thiophen-2-ylthiophen-2-yl)ethanone

1-(5-thiophen-2-ylthiophen-2-yl)ethanone (PubChem CID 606422) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(5-thiophen-2-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-thiophen-2-ylthiophen-2-yl)ethanone
PubChem CID606422
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name1-(5-thiophen-2-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3
InChIKeyGKGAOTYPISAEEK-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-thiophen-2-ylthiophen-2-yl)ethanone (CID 606422) is 1-(5-thiophen-2-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-thiophen-2-ylthiophen-2-yl)ethanone is CC(=O)c1ccc(-c2cccs2)s1.
What is the InChIKey of 1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
The InChIKey is GKGAOTYPISAEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c1-7(11)8-4-5-10(13-8)9-3-2-6-12-9/h2-6H,1H3.
What are the key properties of 1-(5-thiophen-2-ylthiophen-2-yl)ethanone?
1-(5-thiophen-2-ylthiophen-2-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 606422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).