2-(5-bromothiophen-3-yl)acetaldehyde

C6H5BrOS — CID 87296184

IUPAC2-(5-bromothiophen-3-yl)acetaldehyde
SMILESO=CCc1csc(Br)c1
InChIInChI=1S/C6H5BrOS/c7-6-3-5(1-2-8)4-9-6/h2-4H,1H2
InChIKeyUNOVNXLJUQVCDX-UHFFFAOYSA-N
MW205.08 g/mol
LogP2.25
Rot. Bonds2

About 2-(5-bromothiophen-3-yl)acetaldehyde

2-(5-bromothiophen-3-yl)acetaldehyde (PubChem CID 87296184) has the molecular formula C6H5BrOS and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)acetaldehyde
PubChem CID87296184
Molecular FormulaC6H5BrOS
Molecular Weight205.08 g/mol
Exact Mass203.92
IUPAC Name2-(5-bromothiophen-3-yl)acetaldehyde
SMILESO=CCc1csc(Br)c1
InChIInChI=1S/C6H5BrOS/c7-6-3-5(1-2-8)4-9-6/h2-4H,1H2
InChIKeyUNOVNXLJUQVCDX-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-3-yl)methanamine
CID 23533436
(5-bromothiophen-3-yl)methanesulfonamide
CID 165443505
2-bromo-4-(methylsulfanylmethyl)thiophene
CID 130987828
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 43432019
2-[(5-bromothiophen-3-yl)methylamino]acetonitrile
CID 130688668
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
CID 43646902
1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655513
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
2-amino-3-(5-bromothiophen-3-yl)propanoic acid
CID 82665215
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020534
4-[(5-bromothiophen-3-yl)methylamino]butanoic acid
CID 43473757

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)acetaldehyde?
The IUPAC name of 2-(5-bromothiophen-3-yl)acetaldehyde (CID 87296184) is 2-(5-bromothiophen-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-bromothiophen-3-yl)acetaldehyde is O=CCc1csc(Br)c1.
What is the InChIKey of 2-(5-bromothiophen-3-yl)acetaldehyde?
The InChIKey is UNOVNXLJUQVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrOS/c7-6-3-5(1-2-8)4-9-6/h2-4H,1H2.
What are the key properties of 2-(5-bromothiophen-3-yl)acetaldehyde?
2-(5-bromothiophen-3-yl)acetaldehyde has a molecular weight of 205.08 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)acetaldehyde is sourced from PubChem (CID 87296184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).