1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone

C8H5BrOS2 — CID 133059394

IUPAC1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)sc2s1
InChIInChI=1S/C8H5BrOS2/c1-4(10)6-2-5-3-7(9)12-8(5)11-6/h2-3H,1H3
InChIKeyQBQHRKDARYXSGT-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.93
Rot. Bonds1

About 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone

1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone (PubChem CID 133059394) has the molecular formula C8H5BrOS2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone
PubChem CID133059394
Molecular FormulaC8H5BrOS2
Molecular Weight261.17 g/mol
Exact Mass259.90
IUPAC Name1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1cc2cc(Br)sc2s1
InChIInChI=1S/C8H5BrOS2/c1-4(10)6-2-5-3-7(9)12-8(5)11-6/h2-3H,1H3
InChIKeyQBQHRKDARYXSGT-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetylthieno[2,3-b]thiophene-5-carboxamide
CID 133056845
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
1-thieno[2,3-b]thiophen-5-ylethanone
CID 15698036
1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
1-(5,6-dimethylthieno[2,3-b]pyrrol-2-yl)ethanone
CID 89398312
1-(7-amino-1-benzothiophen-2-yl)ethanone
CID 142819790
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
1-[5-(bromomethyl)-4-chlorothiophen-2-yl]ethanone
CID 165141299
1-(6-amino-1-benzothiophen-2-yl)ethanone
CID 82373112
1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
CID 170452268
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
CID 14700202
1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
CID 58622541

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone?
The IUPAC name of 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone (CID 133059394) is 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone is CC(=O)c1cc2cc(Br)sc2s1.
What is the InChIKey of 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone?
The InChIKey is QBQHRKDARYXSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrOS2/c1-4(10)6-2-5-3-7(9)12-8(5)11-6/h2-3H,1H3.
What are the key properties of 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone?
1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone has a molecular weight of 261.17 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothieno[2,3-b]thiophen-2-yl)ethanone is sourced from PubChem (CID 133059394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).