4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde

C11H11BrOS2 — CID 158194298

IUPAC4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
SMILESCc1cc(Br)cs1.Cc1cc(C=O)cs1
InChIInChI=1S/C6H6OS.C5H5BrS/c1-5-2-6(3-7)4-8-5;1-4-2-5(6)3-7-4/h2-4H,1H3;2-3H,1H3
InChIKeyGADOOXJHBZNERZ-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.69
Rot. Bonds1

About 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde

4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde (PubChem CID 158194298) has the molecular formula C11H11BrOS2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
PubChem CID158194298
Molecular FormulaC11H11BrOS2
Molecular Weight303.25 g/mol
Exact Mass301.94
IUPAC Name4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
SMILESCc1cc(Br)cs1.Cc1cc(C=O)cs1
InChIInChI=1S/C6H6OS.C5H5BrS/c1-5-2-6(3-7)4-8-5;1-4-2-5(6)3-7-4/h2-4H,1H3;2-3H,1H3
InChIKeyGADOOXJHBZNERZ-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde?
The IUPAC name of 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde (CID 158194298) is 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde.
What is the SMILES notation for 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde?
The canonical SMILES for 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde is Cc1cc(Br)cs1.Cc1cc(C=O)cs1.
What is the InChIKey of 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde?
The InChIKey is GADOOXJHBZNERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS.C5H5BrS/c1-5-2-6(3-7)4-8-5;1-4-2-5(6)3-7-4/h2-4H,1H3;2-3H,1H3.
What are the key properties of 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde?
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde has a molecular weight of 303.25 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde is sourced from PubChem (CID 158194298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).