1-(3,4-dibromothiophen-2-yl)ethanone

C6H4Br2OS — CID 2764572

IUPAC1-(3,4-dibromothiophen-2-yl)ethanone
SMILESCC(=O)c1scc(Br)c1Br
InChIInChI=1S/C6H4Br2OS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3
InChIKeySXIYNKNSROWNBX-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.48
Rot. Bonds1

About 1-(3,4-dibromothiophen-2-yl)ethanone

1-(3,4-dibromothiophen-2-yl)ethanone (PubChem CID 2764572) has the molecular formula C6H4Br2OS and a molecular weight of 283.97 g/mol. Its IUPAC name is 1-(3,4-dibromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dibromothiophen-2-yl)ethanone
PubChem CID2764572
Molecular FormulaC6H4Br2OS
Molecular Weight283.97 g/mol
Exact Mass281.83
IUPAC Name1-(3,4-dibromothiophen-2-yl)ethanone
SMILESCC(=O)c1scc(Br)c1Br
InChIInChI=1S/C6H4Br2OS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3
InChIKeySXIYNKNSROWNBX-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromothiophen-2-yl)ethanone?
The IUPAC name of 1-(3,4-dibromothiophen-2-yl)ethanone (CID 2764572) is 1-(3,4-dibromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dibromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dibromothiophen-2-yl)ethanone is CC(=O)c1scc(Br)c1Br.
What is the InChIKey of 1-(3,4-dibromothiophen-2-yl)ethanone?
The InChIKey is SXIYNKNSROWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2OS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3.
What are the key properties of 1-(3,4-dibromothiophen-2-yl)ethanone?
1-(3,4-dibromothiophen-2-yl)ethanone has a molecular weight of 283.97 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromothiophen-2-yl)ethanone is sourced from PubChem (CID 2764572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).