1-(5-bromothiophen-3-yl)propan-1-one

C7H7BrOS — CID 105076613

IUPAC1-(5-bromothiophen-3-yl)propan-1-one
SMILESCCC(=O)c1csc(Br)c1
InChIInChI=1S/C7H7BrOS/c1-2-6(9)5-3-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyINLHAEGHMMTNGQ-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.10
Rot. Bonds2

About 1-(5-bromothiophen-3-yl)propan-1-one

1-(5-bromothiophen-3-yl)propan-1-one (PubChem CID 105076613) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)propan-1-one
PubChem CID105076613
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name1-(5-bromothiophen-3-yl)propan-1-one
SMILESCCC(=O)c1csc(Br)c1
InChIInChI=1S/C7H7BrOS/c1-2-6(9)5-3-7(8)10-4-5/h3-4H,2H2,1H3
InChIKeyINLHAEGHMMTNGQ-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiophen-3-yl)ethanone
CID 15116
2-Bromo-1-(thiophen-3-yl)ethan-1-one
CID 2776379
1-(5-Bromo-4-methylthiophen-2-yl)ethan-1-one
CID 45480353
1-(Thiophen-3-yl)propan-1-one
CID 529944
1-(2-Bromothiophen-3-yl)ethan-1-one
CID 12079025
1-(Thiophen-3-yl)butan-1-one
CID 20158043
2,2-Dimethyl-1-thiophen-3-ylpropan-1-one
CID 14814641
1-(4-Bromothiophen-3-yl)ethan-1-one
CID 15561616
1-(5-Bromothiophen-3-yl)-2-chloroethan-1-one
CID 107967356
1-(5-Bromo-2-iodothiophen-3-yl)ethan-1-one
CID 165997422
1-(3-Thienyl)-2-propen-1-one
CID 22489927
1-(4-Bromothiophen-3-yl)-2-fluoroethanone
CID 19377370

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)propan-1-one?
The IUPAC name of 1-(5-bromothiophen-3-yl)propan-1-one (CID 105076613) is 1-(5-bromothiophen-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)propan-1-one?
The canonical SMILES for 1-(5-bromothiophen-3-yl)propan-1-one is CCC(=O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)propan-1-one?
The InChIKey is INLHAEGHMMTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-2-6(9)5-3-7(8)10-4-5/h3-4H,2H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)propan-1-one?
1-(5-bromothiophen-3-yl)propan-1-one has a molecular weight of 219.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)propan-1-one is sourced from PubChem (CID 105076613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).