1-(4-bromothiophen-2-yl)propan-1-one

C7H7BrOS — CID 818932

IUPAC1-(4-bromothiophen-2-yl)propan-1-one
SMILESCCC(=O)c1cc(Br)cs1
InChIInChI=1S/C7H7BrOS/c1-2-6(9)7-3-5(8)4-10-7/h3-4H,2H2,1H3
InChIKeyYTAOZIHQEPBPQQ-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)propan-1-one

1-(4-bromothiophen-2-yl)propan-1-one (PubChem CID 818932) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)propan-1-one
PubChem CID818932
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name1-(4-bromothiophen-2-yl)propan-1-one
SMILESCCC(=O)c1cc(Br)cs1
InChIInChI=1S/C7H7BrOS/c1-2-6(9)7-3-5(8)4-10-7/h3-4H,2H2,1H3
InChIKeyYTAOZIHQEPBPQQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)propan-1-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)propan-1-one (CID 818932) is 1-(4-bromothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)propan-1-one is CCC(=O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)propan-1-one?
The InChIKey is YTAOZIHQEPBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-2-6(9)7-3-5(8)4-10-7/h3-4H,2H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)propan-1-one?
1-(4-bromothiophen-2-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-(4-bromothiophen-2-yl)propan-1-one is sourced from PubChem (CID 818932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).