4,5-dibromo-3-methylthiophene-2-carbaldehyde

C6H4Br2OS — CID 7096355

IUPAC4,5-dibromo-3-methylthiophene-2-carbaldehyde
SMILESCc1c(C=O)sc(Br)c1Br
InChIInChI=1S/C6H4Br2OS/c1-3-4(2-9)10-6(8)5(3)7/h2H,1H3
InChIKeyYMMPWYHKLLYDTN-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.39
Rot. Bonds1

About 4,5-dibromo-3-methylthiophene-2-carbaldehyde

4,5-dibromo-3-methylthiophene-2-carbaldehyde (PubChem CID 7096355) has the molecular formula C6H4Br2OS and a molecular weight of 283.97 g/mol. Its IUPAC name is 4,5-dibromo-3-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dibromo-3-methylthiophene-2-carbaldehyde
PubChem CID7096355
Molecular FormulaC6H4Br2OS
Molecular Weight283.97 g/mol
Exact Mass281.83
IUPAC Name4,5-dibromo-3-methylthiophene-2-carbaldehyde
SMILESCc1c(C=O)sc(Br)c1Br
InChIInChI=1S/C6H4Br2OS/c1-3-4(2-9)10-6(8)5(3)7/h2H,1H3
InChIKeyYMMPWYHKLLYDTN-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-methylthiophene-2-carbaldehyde?
The IUPAC name of 4,5-dibromo-3-methylthiophene-2-carbaldehyde (CID 7096355) is 4,5-dibromo-3-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 4,5-dibromo-3-methylthiophene-2-carbaldehyde?
The canonical SMILES for 4,5-dibromo-3-methylthiophene-2-carbaldehyde is Cc1c(C=O)sc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-3-methylthiophene-2-carbaldehyde?
The InChIKey is YMMPWYHKLLYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2OS/c1-3-4(2-9)10-6(8)5(3)7/h2H,1H3.
What are the key properties of 4,5-dibromo-3-methylthiophene-2-carbaldehyde?
4,5-dibromo-3-methylthiophene-2-carbaldehyde has a molecular weight of 283.97 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 7096355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).