2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone

C8H5BrOS2 — CID 80738942

IUPAC2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(CBr)c1cc2sccc2s1
InChIInChI=1S/C8H5BrOS2/c9-4-5(10)7-3-8-6(12-7)1-2-11-8/h1-3H,4H2
InChIKeyYHNZCHVMMYLOBW-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.54
Rot. Bonds2

About 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone

2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 80738942) has the molecular formula C8H5BrOS2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID80738942
Molecular FormulaC8H5BrOS2
Molecular Weight261.17 g/mol
Exact Mass259.90
IUPAC Name2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(CBr)c1cc2sccc2s1
InChIInChI=1S/C8H5BrOS2/c9-4-5(10)7-3-8-6(12-7)1-2-11-8/h1-3H,4H2
InChIKeyYHNZCHVMMYLOBW-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114979871
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 170138126
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone (CID 80738942) is 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone is O=C(CBr)c1cc2sccc2s1.
What is the InChIKey of 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is YHNZCHVMMYLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrOS2/c9-4-5(10)7-3-8-6(12-7)1-2-11-8/h1-3H,4H2.
What are the key properties of 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone?
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 261.17 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 80738942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).