2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

C16H14OS2 — CID 80745092

IUPAC2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C16H14OS2/c1-10-3-4-11(2)12(7-10)8-13(17)15-9-16-14(19-15)5-6-18-16/h3-7,9H,8H2,1-2H3
InChIKeyJRNURKQWOMQYDL-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.01
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 80745092) has the molecular formula C16H14OS2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID80745092
Molecular FormulaC16H14OS2
Molecular Weight286.42 g/mol
Exact Mass286.05
IUPAC Name2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C16H14OS2/c1-10-3-4-11(2)12(7-10)8-13(17)15-9-16-14(19-15)5-6-18-16/h3-7,9H,8H2,1-2H3
InChIKeyJRNURKQWOMQYDL-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone with MolForge

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102826790
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
4-(2,3-difluoro-4-methylphenyl)-2-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)thiophene-3-carboxylic acid
CID 58295526
2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 107063268
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 80745092) is 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is Cc1ccc(C)c(CC(=O)c2cc3sccc3s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is JRNURKQWOMQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS2/c1-10-3-4-11(2)12(7-10)8-13(17)15-9-16-14(19-15)5-6-18-16/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 286.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 80745092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).