6-bromo-1-benzothiophene-2-carbaldehyde

C9H5BrOS — CID 56832309

IUPAC6-bromo-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2ccc(Br)cc2s1
InChIInChI=1S/C9H5BrOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-5H
InChIKeyCENQBZNSQSCMTO-UHFFFAOYSA-N
MW241.11 g/mol
LogP3.48
Rot. Bonds1

About 6-bromo-1-benzothiophene-2-carbaldehyde

6-bromo-1-benzothiophene-2-carbaldehyde (PubChem CID 56832309) has the molecular formula C9H5BrOS and a molecular weight of 241.11 g/mol. Its IUPAC name is 6-bromo-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1-benzothiophene-2-carbaldehyde
PubChem CID56832309
Molecular FormulaC9H5BrOS
Molecular Weight241.11 g/mol
Exact Mass239.92
IUPAC Name6-bromo-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2ccc(Br)cc2s1
InChIInChI=1S/C9H5BrOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-5H
InChIKeyCENQBZNSQSCMTO-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 53.48
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

1-Benzothiophene-2-carbaldehyde
CID 736500
1-Benzothiophene-3-carbaldehyde
CID 227328
5-Bromo-1-benzothiophene-3-carbaldehyde
CID 7537499
3-Bromo-1-benzothiophene-2-carbaldehyde
CID 12506014
2-Bromo-1-benzothiophene-3-carbaldehyde
CID 12317268
5-(4-Bromophenyl)thiophene-2-carbaldehyde
CID 3578056
5-Bromo-benzo[b]thiophene-2-carbaldehyde
CID 618035
6-Bromo-1-benzothiophene-3-carbaldehyde
CID 71743435
4-Bromo-1-benzothiophene-3-carbaldehyde
CID 84103257
1-(1-Benzothiophen-2-yl)-2-bromoethan-1-one
CID 2795258
4-Fluorobenzo[b]thiophene-2-carbaldehyde
CID 53758969
7-Fluorobenzo[b]thiophene-2-carbaldehyde
CID 82374243

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 6-bromo-1-benzothiophene-2-carbaldehyde (CID 56832309) is 6-bromo-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 6-bromo-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 6-bromo-1-benzothiophene-2-carbaldehyde is O=Cc1cc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-1-benzothiophene-2-carbaldehyde?
The InChIKey is CENQBZNSQSCMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-5H.
What are the key properties of 6-bromo-1-benzothiophene-2-carbaldehyde?
6-bromo-1-benzothiophene-2-carbaldehyde has a molecular weight of 241.11 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 56832309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).