3-(3-bromothiophen-2-yl)-3-hydroxypropanal

C7H7BrO2S — CID 114795337

IUPAC3-(3-bromothiophen-2-yl)-3-hydroxypropanal
SMILESO=CCC(O)c1sccc1Br
InChIInChI=1S/C7H7BrO2S/c8-5-2-4-11-7(5)6(10)1-3-9/h2-4,6,10H,1H2
InChIKeySNLQLUOTVCOCGJ-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.13
Rot. Bonds3

About 3-(3-bromothiophen-2-yl)-3-hydroxypropanal

3-(3-bromothiophen-2-yl)-3-hydroxypropanal (PubChem CID 114795337) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-3-hydroxypropanal.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-3-hydroxypropanal
PubChem CID114795337
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name3-(3-bromothiophen-2-yl)-3-hydroxypropanal
SMILESO=CCC(O)c1sccc1Br
InChIInChI=1S/C7H7BrO2S/c8-5-2-4-11-7(5)6(10)1-3-9/h2-4,6,10H,1H2
InChIKeySNLQLUOTVCOCGJ-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
1-(3-bromothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119402
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
CID 105119347
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 115381489

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-3-hydroxypropanal?
The IUPAC name of 3-(3-bromothiophen-2-yl)-3-hydroxypropanal (CID 114795337) is 3-(3-bromothiophen-2-yl)-3-hydroxypropanal.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-3-hydroxypropanal?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-3-hydroxypropanal is O=CCC(O)c1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-3-hydroxypropanal?
The InChIKey is SNLQLUOTVCOCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c8-5-2-4-11-7(5)6(10)1-3-9/h2-4,6,10H,1H2.
What are the key properties of 3-(3-bromothiophen-2-yl)-3-hydroxypropanal?
3-(3-bromothiophen-2-yl)-3-hydroxypropanal has a molecular weight of 235.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-3-hydroxypropanal is sourced from PubChem (CID 114795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).