2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde

C10H7BrOS — CID 87677672

IUPAC2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
SMILESO=CC(Br)c1ccc2sccc2c1
InChIInChI=1S/C10H7BrOS/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H
InChIKeyGAWHDGISHQCOHO-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.54
Rot. Bonds2

About 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde

2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde (PubChem CID 87677672) has the molecular formula C10H7BrOS and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
PubChem CID87677672
Molecular FormulaC10H7BrOS
Molecular Weight255.14 g/mol
Exact Mass253.94
IUPAC Name2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
SMILESO=CC(Br)c1ccc2sccc2c1
InChIInChI=1S/C10H7BrOS/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H
InChIKeyGAWHDGISHQCOHO-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde?
The IUPAC name of 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde (CID 87677672) is 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde is O=CC(Br)c1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde?
The InChIKey is GAWHDGISHQCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrOS/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H.
What are the key properties of 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde?
2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde has a molecular weight of 255.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde is sourced from PubChem (CID 87677672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).