1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

C8H5Br2NOS — CID 170452268

IUPAC1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1[nH]c2cc(Br)sc2c1Br
InChIInChI=1S/C8H5Br2NOS/c1-3(12)7-6(10)8-4(11-7)2-5(9)13-8/h2,11H,1H3
InChIKeyIZUPIPZBIXAXBP-UHFFFAOYSA-N
MW323.01 g/mol
LogP3.96
Rot. Bonds1

About 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone

1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (PubChem CID 170452268) has the molecular formula C8H5Br2NOS and a molecular weight of 323.01 g/mol. Its IUPAC name is 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
PubChem CID170452268
Molecular FormulaC8H5Br2NOS
Molecular Weight323.01 g/mol
Exact Mass320.85
IUPAC Name1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
SMILESCC(=O)c1[nH]c2cc(Br)sc2c1Br
InChIInChI=1S/C8H5Br2NOS/c1-3(12)7-6(10)8-4(11-7)2-5(9)13-8/h2,11H,1H3
InChIKeyIZUPIPZBIXAXBP-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The IUPAC name of 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone (CID 170452268) is 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is CC(=O)c1[nH]c2cc(Br)sc2c1Br.
What is the InChIKey of 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
The InChIKey is IZUPIPZBIXAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NOS/c1-3(12)7-6(10)8-4(11-7)2-5(9)13-8/h2,11H,1H3.
What are the key properties of 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone?
1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone has a molecular weight of 323.01 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4H-thieno[3,2-b]pyrrol-5-yl)ethanone is sourced from PubChem (CID 170452268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).