1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone

C11H10OS2 — CID 13356121

IUPAC1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(Cc2cccs2)cs1
InChIInChI=1S/C11H10OS2/c1-8(12)11-6-9(7-14-11)5-10-3-2-4-13-10/h2-4,6-7H,5H2,1H3
InChIKeyIKRATFXPYGVKAT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone

1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone (PubChem CID 13356121) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone
PubChem CID13356121
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Name1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(Cc2cccs2)cs1
InChIInChI=1S/C11H10OS2/c1-8(12)11-6-9(7-14-11)5-10-3-2-4-13-10/h2-4,6-7H,5H2,1H3
InChIKeyIKRATFXPYGVKAT-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(thiophen-2-ylmethyl)thiophene
CID 13356124
1-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 45232287
3-(thiophen-2-ylmethyl)benzoyl chloride
CID 175504095
4-(thiophen-2-ylmethyl)phenol
CID 605440
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
1-[5-[methyl(thiophen-2-ylmethyl)amino]furan-2-yl]ethanone
CID 104651558
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
1-thiophen-2-ylpentane-2,4-dione
CID 154402079

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone (CID 13356121) is 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone is CC(=O)c1cc(Cc2cccs2)cs1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone?
The InChIKey is IKRATFXPYGVKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-8(12)11-6-9(7-14-11)5-10-3-2-4-13-10/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone?
1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone has a molecular weight of 222.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 13356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).