4,5-dimethylthiophene-3-carbaldehyde

C7H8OS — CID 14335813

IUPAC4,5-dimethylthiophene-3-carbaldehyde
SMILESCc1scc(C=O)c1C
InChIInChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3
InChIKeyQZBILYRKOIDVSF-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.18
Rot. Bonds1

About 4,5-dimethylthiophene-3-carbaldehyde

4,5-dimethylthiophene-3-carbaldehyde (PubChem CID 14335813) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 4,5-dimethylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethylthiophene-3-carbaldehyde
PubChem CID14335813
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name4,5-dimethylthiophene-3-carbaldehyde
SMILESCc1scc(C=O)c1C
InChIInChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3
InChIKeyQZBILYRKOIDVSF-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.18
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-dimethylthiophene-3-carbaldehyde?
The IUPAC name of 4,5-dimethylthiophene-3-carbaldehyde (CID 14335813) is 4,5-dimethylthiophene-3-carbaldehyde.
What is the SMILES notation for 4,5-dimethylthiophene-3-carbaldehyde?
The canonical SMILES for 4,5-dimethylthiophene-3-carbaldehyde is Cc1scc(C=O)c1C.
What is the InChIKey of 4,5-dimethylthiophene-3-carbaldehyde?
The InChIKey is QZBILYRKOIDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3.
What are the key properties of 4,5-dimethylthiophene-3-carbaldehyde?
4,5-dimethylthiophene-3-carbaldehyde has a molecular weight of 140.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiophene-3-carbaldehyde is sourced from PubChem (CID 14335813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).