1-(4-bromo-5-ethylthiophen-2-yl)ethanone

C8H9BrOS — CID 67165666

IUPAC1-(4-bromo-5-ethylthiophen-2-yl)ethanone
SMILESCCc1sc(C(C)=O)cc1Br
InChIInChI=1S/C8H9BrOS/c1-3-7-6(9)4-8(11-7)5(2)10/h4H,3H2,1-2H3
InChIKeyLFPYFWSYSPFRRM-UHFFFAOYSA-N
MW233.13 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-bromo-5-ethylthiophen-2-yl)ethanone

1-(4-bromo-5-ethylthiophen-2-yl)ethanone (PubChem CID 67165666) has the molecular formula C8H9BrOS and a molecular weight of 233.13 g/mol. Its IUPAC name is 1-(4-bromo-5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-ethylthiophen-2-yl)ethanone
PubChem CID67165666
Molecular FormulaC8H9BrOS
Molecular Weight233.13 g/mol
Exact Mass231.96
IUPAC Name1-(4-bromo-5-ethylthiophen-2-yl)ethanone
SMILESCCc1sc(C(C)=O)cc1Br
InChIInChI=1S/C8H9BrOS/c1-3-7-6(9)4-8(11-7)5(2)10/h4H,3H2,1-2H3
InChIKeyLFPYFWSYSPFRRM-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-5-ethylthiophen-2-yl)ethanone (CID 67165666) is 1-(4-bromo-5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-5-ethylthiophen-2-yl)ethanone is CCc1sc(C(C)=O)cc1Br.
What is the InChIKey of 1-(4-bromo-5-ethylthiophen-2-yl)ethanone?
The InChIKey is LFPYFWSYSPFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrOS/c1-3-7-6(9)4-8(11-7)5(2)10/h4H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-5-ethylthiophen-2-yl)ethanone?
1-(4-bromo-5-ethylthiophen-2-yl)ethanone has a molecular weight of 233.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 67165666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).